CID 135524704

1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-pyridinylamino)-

Structural Information

Molecular Formula
C20H14N6O4S
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)C3=C(C4=C(N=CC=C4)N(C3=O)NC5=CN=CC=C5)O
InChI
InChI=1S/C20H14N6O4S/c27-17-13-6-4-10-22-19(13)26(24-12-5-3-9-21-11-12)20(28)16(17)18-23-14-7-1-2-8-15(14)31(29,30)25-18/h1-11,24,27H,(H,23,25)
InChIKey
YQLAGDXNMOZGDX-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(pyridin-3-ylamino)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.0797 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.08698 198.7
[M+Na]+ 457.06892 210.3
[M-H]- 433.07242 202.0
[M+NH4]+ 452.11352 203.7
[M+K]+ 473.04286 201.1
[M+H-H2O]+ 417.07696 187.1
[M+HCOO]- 479.07790 207.7
[M+CH3COO]- 493.09355 205.9
[M+Na-2H]- 455.05437 206.9
[M]+ 434.07915 200.0
[M]- 434.08025 200.0
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.