CID 374384

Nsc652050

Structural Information

Molecular Formula
C17H12ClN5OS
SMILES
C1C(=O)N=C(S1)C(C2=NC3=CC=CC=C3N2)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN5OS/c18-10-5-7-11(8-6-10)22-23-15(17-21-14(24)9-25-17)16-19-12-3-1-2-4-13(12)20-16/h1-8,15H,9H2,(H,19,20)
InChIKey
HMYOJHODMMXPRD-UHFFFAOYSA-N
Compound name
2-[1H-benzimidazol-2-yl-[(4-chlorophenyl)diazenyl]methyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0451 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05238 182.9
[M+Na]+ 392.03432 193.9
[M-H]- 368.03782 192.5
[M+NH4]+ 387.07892 197.3
[M+K]+ 408.00826 187.1
[M+H-H2O]+ 352.04236 174.0
[M+HCOO]- 414.04330 198.8
[M+CH3COO]- 428.05895 194.2
[M+Na-2H]- 390.01977 184.5
[M]+ 369.04455 188.4
[M]- 369.04565 188.4
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.