PubChemLite - 1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-1-[(di-2h-pyran-4-ylmethyl)amino]-4-hydroxy- (C26H21N5O6S)

Structural Information

Molecular Formula

SMILES

C1C=C(C=CO1)C(C2=CCOC=C2)NN3C4=C(C=CC=N4)C(=C(C3=O)C5=NS(=O)(=O)C6=CC=CC=C6N5)O

InChI

InChI=1S/C26H21N5O6S/c32-23-18-4-3-11-27-25(18)31(29-22(16-7-12-36-13-8-16)17-9-14-37-15-10-17)26(33)21(23)24-28-19-5-1-2-6-20(19)38(34,35)30-24/h1-12,14,22,29,32H,13,15H2,(H,28,30)

InChIKey

UWUDYBQWVZDBNU-UHFFFAOYSA-N

Compound name

1-[bis(2H-pyran-4-yl)methylamino]-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	532.12858	218.8
[M+Na]+	554.11052	226.2
[M-H]-	530.11402	226.2
[M+NH4]+	549.15512	217.4
[M+K]+	570.08446	221.5
[M+H-H2O]+	514.11856	205.3
[M+HCOO]-	576.11950	223.2
[M+CH3COO]-	590.13515	223.7
[M+Na-2H]-	552.09597	224.5
[M]+	531.12075	219.3
[M]-	531.12185	219.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.12858

218.8

[M+Na]+

554.11052

226.2

[M-H]-

530.11402

226.2

[M+NH4]+

549.15512

217.4

[M+K]+

570.08446

221.5

[M+H-H2O]+

514.11856

205.3

[M+HCOO]-

576.11950

223.2

[M+CH3COO]-

590.13515

223.7

[M+Na-2H]-

552.09597

224.5

[M]+

531.12075

219.3

[M]-

531.12185

219.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-1-[(di-2h-pyran-4-ylmethyl)amino]-4-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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