CID 365506

Nsc633186

Structural Information

Molecular Formula
C16H12N4S2
SMILES
C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N
InChI
InChI=1S/C16H12N4S2/c17-14-13(15-18-11-8-4-5-9-12(11)19-15)22-16(21)20(14)10-6-2-1-3-7-10/h1-9H,17H2,(H,18,19)
InChIKey
LTPHMANJAFYCAC-UHFFFAOYSA-N
Compound name
4-amino-5-(1H-benzimidazol-2-yl)-3-phenyl-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.05035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05763 169.3
[M+Na]+ 347.03957 183.6
[M-H]- 323.04307 176.8
[M+NH4]+ 342.08417 185.0
[M+K]+ 363.01351 174.5
[M+H-H2O]+ 307.04761 163.4
[M+HCOO]- 369.04855 183.0
[M+CH3COO]- 383.06420 181.4
[M+Na-2H]- 345.02502 169.2
[M]+ 324.04980 172.0
[M]- 324.05090 172.0
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.