PubChemLite - 1,8-naphthyridin-2(1h)-one, 1-[(cyclopropylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy- (C19H17N5O4S)

Structural Information

Molecular Formula

SMILES

C1CC1CNN2C3=C(C=CC=N3)C(=C(C2=O)C4=NS(=O)(=O)C5=CC=CC=C5N4)O

InChI

InChI=1S/C19H17N5O4S/c25-16-12-4-3-9-20-18(12)24(21-10-11-7-8-11)19(26)15(16)17-22-13-5-1-2-6-14(13)29(27,28)23-17/h1-6,9,11,21,25H,7-8,10H2,(H,22,23)

InChIKey

BAXIMPTWOOJWNZ-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethylamino)-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]+	412.10741	200.4
[M+Na]+	434.08935	212.4
[M-H]-	410.09285	204.4
[M+NH4]+	429.13395	203.7
[M+K]+	450.06329	203.2
[M+H-H2O]+	394.09739	191.4
[M+HCOO]-	456.09833	210.3
[M+CH3COO]-	470.11398	207.5
[M+Na-2H]-	432.07480	205.6
[M]+	411.09958	204.4
[M]-	411.10068	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.10741

200.4

[M+Na]+

434.08935

212.4

[M-H]-

410.09285

204.4

[M+NH4]+

429.13395

203.7

[M+K]+

450.06329

203.2

[M+H-H2O]+

394.09739

191.4

[M+HCOO]-

456.09833

210.3

[M+CH3COO]-

470.11398

207.5

[M+Na-2H]-

432.07480

205.6

[M]+

411.09958

204.4

[M]-

411.10068

204.4

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-[(cyclopropylmethyl)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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