CID 3068382

83408-76-8

Structural Information

Molecular Formula
C15H13N3OS
SMILES
C1=CC=C(C=C1)NCC(=O)SC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13N3OS/c19-14(10-16-11-6-2-1-3-7-11)20-15-17-12-8-4-5-9-13(12)18-15/h1-9,16H,10H2,(H,17,18)
InChIKey
WGXSNKNQNLUQDO-UHFFFAOYSA-N
Compound name
S-(1H-benzimidazol-2-yl) 2-anilinoethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.