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

1
Patents

381.11472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 187.7
[M+Na]+ 404.10394 199.3
[M+NH4]+ 399.14854 193.7
[M+K]+ 420.07788 193.4
[M-H]- 380.10744 191.8
[M+Na-2H]- 402.08939 195.6
[M]+ 381.11417 190.8
[M]- 381.11527 190.8
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.