CID 365508

Nsc633188

Structural Information

Molecular Formula
C17H14N4S2
SMILES
CC1=CC(=CC=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N
InChI
InChI=1S/C17H14N4S2/c1-10-5-4-6-11(9-10)21-15(18)14(23-17(21)22)16-19-12-7-2-3-8-13(12)20-16/h2-9H,18H2,1H3,(H,19,20)
InChIKey
HPUFDXLCXITGKG-UHFFFAOYSA-N
Compound name
4-amino-5-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07326 174.3
[M+Na]+ 361.05520 188.9
[M-H]- 337.05870 182.0
[M+NH4]+ 356.09980 189.7
[M+K]+ 377.02914 179.5
[M+H-H2O]+ 321.06324 168.5
[M+HCOO]- 383.06418 187.6
[M+CH3COO]- 397.07983 186.2
[M+Na-2H]- 359.04065 173.0
[M]+ 338.06543 177.7
[M]- 338.06653 177.7
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.