CID 303789

Nsc193446

Structural Information

Molecular Formula
C19H15N3O5S2
SMILES
CSC1=NC2=C(N1C3=CC=CC=C3)C(=O)C(C(=O)N2)OS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O5S2/c1-28-19-21-17-14(22(19)12-8-4-2-5-9-12)15(23)16(18(24)20-17)27-29(25,26)13-10-6-3-7-11-13/h2-11,16H,1H3,(H,20,24)
InChIKey
VCIJYMMPGCQJGE-UHFFFAOYSA-N
Compound name
(2-methylsulfanyl-5,7-dioxo-1-phenyl-4H-imidazo[4,5-b]pyridin-6-yl) benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.04532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.05260 198.4
[M+Na]+ 452.03454 208.1
[M-H]- 428.03804 204.1
[M+NH4]+ 447.07914 206.9
[M+K]+ 468.00848 200.9
[M+H-H2O]+ 412.04258 191.0
[M+HCOO]- 474.04352 205.0
[M+CH3COO]- 488.05917 206.7
[M+Na-2H]- 450.01999 199.0
[M]+ 429.04477 202.2
[M]- 429.04587 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.