CID 5275167

N-(2-methoxyphenyl)-2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C22H19N3O2S
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H19N3O2S/c1-27-20-12-5-4-10-18(20)24-21(26)15-28-22-23-13-14-25(22)19-11-6-8-16-7-2-3-9-17(16)19/h2-14H,15H2,1H3,(H,24,26)
InChIKey
NGMBMSWPRABHLV-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12708 191.4
[M+Na]+ 412.10902 200.3
[M-H]- 388.11252 200.1
[M+NH4]+ 407.15362 203.0
[M+K]+ 428.08296 193.4
[M+H-H2O]+ 372.11706 181.6
[M+HCOO]- 434.11800 209.5
[M+CH3COO]- 448.13365 201.5
[M+Na-2H]- 410.09447 194.0
[M]+ 389.11925 196.8
[M]- 389.12035 196.8
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.