CID 5275166

Chembl551273

Structural Information

Molecular Formula
C22H19N3OS
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H19N3OS/c1-16-7-2-5-11-19(16)24-21(26)15-27-22-23-13-14-25(22)20-12-6-9-17-8-3-4-10-18(17)20/h2-14H,15H2,1H3,(H,24,26)
InChIKey
TYDCEBHOKVIHEV-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.12488 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13216 188.2
[M+Na]+ 396.11410 197.5
[M-H]- 372.11760 197.0
[M+NH4]+ 391.15870 200.7
[M+K]+ 412.08804 189.9
[M+H-H2O]+ 356.12214 178.6
[M+HCOO]- 418.12308 206.2
[M+CH3COO]- 432.13873 198.6
[M+Na-2H]- 394.09955 190.7
[M]+ 373.12433 192.4
[M]- 373.12543 192.4
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.