CID 207451

30065-35-1

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H15N3OS/c1-11-6-8-12(9-7-11)17-15(20)10-21-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKey
QJTBTVKWLSOQTQ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

297.0936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 166.2
[M+Na]+ 320.08282 175.6
[M-H]- 296.08632 170.7
[M+NH4]+ 315.12742 181.5
[M+K]+ 336.05676 169.0
[M+H-H2O]+ 280.09086 158.4
[M+HCOO]- 342.09180 183.5
[M+CH3COO]- 356.10745 177.5
[M+Na-2H]- 318.06827 169.7
[M]+ 297.09305 168.9
[M]- 297.09415 168.9
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