CID 3080506

Acetamide, n-(2-benzoyl-4-methoxyphenyl)-2-(1h-imidazol-2-ylthio)-n-methyl-, monohydrobromide

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CN(C1=C(C=C(C=C1)OC)C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3
InChI
InChI=1S/C20H19N3O3S/c1-23(18(24)13-27-20-21-10-11-22-20)17-9-8-15(26-2)12-16(17)19(25)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,21,22)
InChIKey
XXHGLVOOPDCXLS-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-methoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.11472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.121996 189.7
[M+Na]+ 404.103938 195.5
[M-H]- 380.107444 197.1
[M+NH4]+ 399.148543 200.1
[M+K]+ 420.077878 190.9
[M+H-H2O]+ 364.111980 180.0
[M+HCOO]- 426.112921 205.6
[M+CH3COO]- 440.128571 218.2
[M+Na-2H]- 402.089386 188.1
[M]+ 381.11417142 193.4
[M]- 381.11526858 193.4
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.