CID 3061779

Brn 5594791

Structural Information

Molecular Formula
C15H12ClN3OS
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CC(=S)N
InChI
InChI=1S/C15H12ClN3OS/c16-10-6-7-12-13(8-10)19(11-4-2-1-3-5-11)15(20)18(12)9-14(17)21/h1-8H,9H2,(H2,17,21)
InChIKey
YRQGILPKHMAUGY-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.03897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04625 169.6
[M+Na]+ 340.02819 185.2
[M+NH4]+ 335.07279 178.1
[M+K]+ 356.00213 176.8
[M-H]- 316.03169 173.8
[M+Na-2H]- 338.01364 177.1
[M]+ 317.03842 173.8
[M]- 317.03952 173.8
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.