CID 207449

30065-33-9

Structural Information

Molecular Formula
C15H13N3OS
SMILES
C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13N3OS/c19-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKey
WVWIDWYWASPVGN-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

283.07794 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085216 161.1
[M+Na]+ 306.067158 170.1
[M-H]- 282.070664 165.4
[M+NH4]+ 301.111763 176.7
[M+K]+ 322.041098 163.7
[M+H-H2O]+ 266.075200 153.3
[M+HCOO]- 328.076141 178.8
[M+CH3COO]- 342.091791 172.5
[M+Na-2H]- 304.052606 165.9
[M]+ 283.07739142 163.1
[M]- 283.07848858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe