CID 54998

83408-88-2

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H15N3O2S/c1-21-14-9-5-4-8-13(14)17-15(20)10-22-16-18-11-6-2-3-7-12(11)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKey
UCCAGDLBQHYKMU-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

313.0885 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 169.8
[M+Na]+ 336.07772 182.9
[M+NH4]+ 331.12232 177.3
[M+K]+ 352.05166 175.6
[M-H]- 312.08122 173.2
[M+Na-2H]- 334.06317 177.1
[M]+ 313.08795 173.0
[M]- 313.08905 173.0
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