CID 54996

Brn 4524249

Structural Information

Molecular Formula
C17H17N3OS
SMILES
CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C17H17N3OS/c1-11-6-5-9-13(12(11)2)18-16(21)10-22-17-19-14-7-3-4-8-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKey
VSYOSIWCFLBMOC-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10922 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 171.2
[M+Na]+ 334.09844 181.0
[M-H]- 310.10194 175.9
[M+NH4]+ 329.14304 186.2
[M+K]+ 350.07238 174.1
[M+H-H2O]+ 294.10648 163.5
[M+HCOO]- 356.10742 188.1
[M+CH3COO]- 370.12307 182.3
[M+Na-2H]- 332.08389 173.4
[M]+ 311.10867 174.7
[M]- 311.10977 174.7
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.