CID 342757

30065-13-5

Structural Information

Molecular Formula
C15H9ClN4OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H9ClN4OS/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
WJMJBJYYGBQKEH-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)diazenyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.01855 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02583 173.1
[M+Na]+ 351.00777 186.7
[M-H]- 327.01127 183.4
[M+NH4]+ 346.05237 193.0
[M+K]+ 366.98171 180.7
[M+H-H2O]+ 311.01581 165.9
[M+HCOO]- 373.01675 191.9
[M+CH3COO]- 387.03240 186.7
[M+Na-2H]- 348.99322 176.8
[M]+ 328.01800 181.6
[M]- 328.01910 181.6
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.