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 189.7
[M+Na]+ 404.10394 195.5
[M-H]- 380.10744 197.1
[M+NH4]+ 399.14854 200.1
[M+K]+ 420.07788 190.9
[M+H-H2O]+ 364.11198 180.0
[M+HCOO]- 426.11292 205.6
[M+CH3COO]- 440.12857 218.2
[M+Na-2H]- 402.08939 188.1
[M]+ 381.11417 193.4
[M]- 381.11527 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.