CID 207452

30065-36-2

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H15N3O2S/c1-21-12-8-6-11(7-9-12)17-15(20)10-22-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKey
WMPPNMLFBMVRLU-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
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 169.3
[M+Na]+ 336.07772 178.4
[M-H]- 312.08122 173.8
[M+NH4]+ 331.12232 183.8
[M+K]+ 352.05166 172.4
[M+H-H2O]+ 296.08576 161.3
[M+HCOO]- 358.08670 186.8
[M+CH3COO]- 372.10235 180.3
[M+Na-2H]- 334.06317 173.0
[M]+ 313.08795 173.4
[M]- 313.08905 173.4
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

No patent data available for this compound.