CID 365509

Nsc633189

Structural Information

Molecular Formula
C16H11ClN4S2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C16H11ClN4S2/c17-9-5-7-10(8-6-9)21-14(18)13(23-16(21)22)15-19-11-3-1-2-4-12(11)20-15/h1-8H,18H2,(H,19,20)
InChIKey
IGIAYWXMEXEKNP-UHFFFAOYSA-N
Compound name
4-amino-5-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.01135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01863 177.6
[M+Na]+ 381.00057 193.0
[M-H]- 357.00407 185.3
[M+NH4]+ 376.04517 193.0
[M+K]+ 396.97451 182.9
[M+H-H2O]+ 341.00861 172.2
[M+HCOO]- 403.00955 186.5
[M+CH3COO]- 417.02520 189.4
[M+Na-2H]- 378.98602 176.2
[M]+ 358.01080 182.5
[M]- 358.01190 182.5
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.