CID 342758

Nsc380498

Structural Information

Molecular Formula
C15H9BrN4OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)N=NC4=CC=C(C=C4)Br
InChI
InChI=1S/C15H9BrN4OS/c16-9-5-7-10(8-6-9)18-19-13-14(21)20-12-4-2-1-3-11(12)17-15(20)22-13/h1-8,13H
InChIKey
WEDUBELNWULICP-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)diazenyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.96805 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.97533 167.7
[M+Na]+ 394.95727 183.5
[M-H]- 370.96077 180.5
[M+NH4]+ 390.00187 188.8
[M+K]+ 410.93121 171.6
[M+H-H2O]+ 354.96531 167.0
[M+HCOO]- 416.96625 189.2
[M+CH3COO]- 430.98190 183.4
[M+Na-2H]- 392.94272 174.0
[M]+ 371.96750 192.4
[M]- 371.96860 192.4
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.