PubChemLite - 1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(5-methyl-2-thienyl)amino]- (C20H15N5O4S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(S1)NN2C3=C(C=CC=N3)C(=C(C2=O)C4=NS(=O)(=O)C5=CC=CC=C5N4)O

InChI

InChI=1S/C20H15N5O4S2/c1-11-8-9-15(30-11)23-25-19-12(5-4-10-21-19)17(26)16(20(25)27)18-22-13-6-2-3-7-14(13)31(28,29)24-18/h2-10,23,26H,1H3,(H,22,24)

InChIKey

GRCDGCUAOUJREQ-UHFFFAOYSA-N

Compound name

3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(5-methylthiophen-2-yl)amino]-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]+	454.06383	198.2
[M+Na]+	476.04577	211.8
[M-H]-	452.04927	203.5
[M+NH4]+	471.09037	207.0
[M+K]+	492.01971	202.5
[M+H-H2O]+	436.05381	190.8
[M+HCOO]-	498.05475	206.4
[M+CH3COO]-	512.07040	206.9
[M+Na-2H]-	474.03122	203.4
[M]+	453.05600	203.5
[M]-	453.05710	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.06383

198.2

[M+Na]+

476.04577

211.8

[M-H]-

452.04927

203.5

[M+NH4]+

471.09037

207.0

[M+K]+

492.01971

202.5

[M+H-H2O]+

436.05381

190.8

[M+HCOO]-

498.05475

206.4

[M+CH3COO]-

512.07040

206.9

[M+Na-2H]-

474.03122

203.4

[M]+

453.05600

203.5

[M]-

453.05710

203.5

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)-4-hydroxy-1-[(5-methyl-2-thienyl)amino]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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