CID 342759

Nsc380499

Structural Information

Molecular Formula
C15H9N5O3S
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)N=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C15H9N5O3S/c21-14-13(18-17-9-5-7-10(8-6-9)20(22)23)24-15-16-11-3-1-2-4-12(11)19(14)15/h1-8,13H
InChIKey
SXVZQUTWJZBFBE-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)diazenyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0426 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04988 171.7
[M+Na]+ 362.03182 181.1
[M-H]- 338.03532 181.8
[M+NH4]+ 357.07642 188.4
[M+K]+ 378.00576 173.0
[M+H-H2O]+ 322.03986 167.9
[M+HCOO]- 384.04080 195.5
[M+CH3COO]- 398.05645 210.0
[M+Na-2H]- 360.01727 179.3
[M]+ 339.04205 175.5
[M]- 339.04315 175.5
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.