CID 135524705

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

Structural Information

Molecular Formula
C19H13N5O4S2
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)C3=C(C4=C(N=CC=C4)N(C3=O)NC5=CC=CS5)O
InChI
InChI=1S/C19H13N5O4S2/c25-16-11-5-3-9-20-18(11)24(22-14-8-4-10-29-14)19(26)15(16)17-21-12-6-1-2-7-13(12)30(27,28)23-17/h1-10,22,25H,(H,21,23)
InChIKey
HNWQMUCFVBEVHM-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(thiophen-2-ylamino)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.0409 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.04818 193.2
[M+Na]+ 462.03012 206.6
[M-H]- 438.03362 198.4
[M+NH4]+ 457.07472 202.4
[M+K]+ 478.00406 197.4
[M+H-H2O]+ 422.03816 185.8
[M+HCOO]- 484.03910 201.9
[M+CH3COO]- 498.05475 202.1
[M+Na-2H]- 460.01557 199.5
[M]+ 439.04035 197.8
[M]- 439.04145 197.8
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.