CID 135524697

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

Structural Information

Molecular Formula
C19H19N5O4S
SMILES
CC(C)CNN1C2=C(C=CC=N2)C(=C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C19H19N5O4S/c1-11(2)10-21-24-18-12(6-5-9-20-18)16(25)15(19(24)26)17-22-13-7-3-4-8-14(13)29(27,28)23-17/h3-9,11,21,25H,10H2,1-2H3,(H,22,23)
InChIKey
QVXGONHDJKJTHZ-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(2-methylpropylamino)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.11578 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.12306 193.8
[M+Na]+ 436.10500 204.1
[M-H]- 412.10850 195.0
[M+NH4]+ 431.14960 201.7
[M+K]+ 452.07894 196.7
[M+H-H2O]+ 396.11304 184.3
[M+HCOO]- 458.11398 202.2
[M+CH3COO]- 472.12963 201.4
[M+Na-2H]- 434.09045 199.2
[M]+ 413.11523 196.5
[M]- 413.11633 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.