PubChemLite - 1,8-naphthyridin-2(1h)-one, 1-[(dicyclopentylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy- (C26H29N5O4S)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)C(C2CCCC2)NN3C4=C(C=CC=N4)C(=C(C3=O)C5=NS(=O)(=O)C6=CC=CC=C6N5)O

InChI

InChI=1S/C26H29N5O4S/c32-23-18-12-7-15-27-25(18)31(29-22(16-8-1-2-9-16)17-10-3-4-11-17)26(33)21(23)24-28-19-13-5-6-14-20(19)36(34,35)30-24/h5-7,12-17,22,29,32H,1-4,8-11H2,(H,28,30)

InChIKey

CAJUMGOFCXZPCF-UHFFFAOYSA-N

Compound name

1-(dicyclopentylmethylamino)-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]+	508.20131	213.2
[M+Na]+	530.18325	219.0
[M-H]-	506.18675	220.1
[M+NH4]+	525.22785	220.0
[M+K]+	546.15719	211.9
[M+H-H2O]+	490.19129	203.9
[M+HCOO]-	552.19223	218.7
[M+CH3COO]-	566.20788	218.7
[M+Na-2H]-	528.16870	210.4
[M]+	507.19348	210.3
[M]-	507.19458	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.20131

213.2

[M+Na]+

530.18325

219.0

[M-H]-

506.18675

220.1

[M+NH4]+

525.22785

220.0

[M+K]+

546.15719

211.9

[M+H-H2O]+

490.19129

203.9

[M+HCOO]-

552.19223

218.7

[M+CH3COO]-

566.20788

218.7

[M+Na-2H]-

528.16870

210.4

[M]+

507.19348

210.3

[M]-

507.19458

210.3

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, 1-[(dicyclopentylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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