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]+ 284.08522 161.1
[M+Na]+ 306.06716 170.1
[M-H]- 282.07066 165.4
[M+NH4]+ 301.11176 176.7
[M+K]+ 322.04110 163.7
[M+H-H2O]+ 266.07520 153.3
[M+HCOO]- 328.07614 178.8
[M+CH3COO]- 342.09179 172.5
[M+Na-2H]- 304.05261 165.9
[M]+ 283.07739 163.1
[M]- 283.07849 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.