CID 365511

Nsc633191

Structural Information

Molecular Formula
C23H16N4OS2
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(SC(=S)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C23H16N4OS2/c28-22(15-9-3-1-4-10-15)26-21-19(20-24-17-13-7-8-14-18(17)25-20)30-23(29)27(21)16-11-5-2-6-12-16/h1-14H,(H,24,25)(H,26,28)
InChIKey
POXQBCXFEVHDMD-UHFFFAOYSA-N
Compound name
N-[5-(1H-benzimidazol-2-yl)-3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.07657 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08385 196.8
[M+Na]+ 451.06579 208.9
[M-H]- 427.06929 207.3
[M+NH4]+ 446.11039 207.7
[M+K]+ 467.03973 199.1
[M+H-H2O]+ 411.07383 189.7
[M+HCOO]- 473.07477 209.6
[M+CH3COO]- 487.09042 206.7
[M+Na-2H]- 449.05124 196.4
[M]+ 428.07602 200.1
[M]- 428.07712 200.1
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.