CID 342760

21578-55-2

Structural Information

Molecular Formula
C16H10N4O3S
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)N=NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C16H10N4O3S/c21-14-13(19-18-10-7-5-9(6-8-10)15(22)23)24-16-17-11-3-1-2-4-12(11)20(14)16/h1-8,13H,(H,22,23)
InChIKey
JEFOVHPYTCSNLA-UHFFFAOYSA-N
Compound name
4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.04736 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05464 173.6
[M+Na]+ 361.03658 184.8
[M-H]- 337.04008 182.7
[M+NH4]+ 356.08118 191.0
[M+K]+ 377.01052 180.4
[M+H-H2O]+ 321.04462 166.5
[M+HCOO]- 383.04556 194.7
[M+CH3COO]- 397.06121 186.2
[M+Na-2H]- 359.02203 177.0
[M]+ 338.04681 180.1
[M]- 338.04791 180.1
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.