CID 3080492

N-methyl-2'-benzoyl-2-(2-imidazolylthio)acetanilide

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CN(C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3
InChI
InChI=1S/C19H17N3O2S/c1-22(17(23)13-25-19-20-11-12-21-19)16-10-6-5-9-15(16)18(24)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKey
MGHYAYRSORBFGJ-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.10416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 182.2
[M+Na]+ 374.09338 187.9
[M-H]- 350.09688 189.4
[M+NH4]+ 369.13798 193.7
[M+K]+ 390.06732 182.8
[M+H-H2O]+ 334.10142 172.6
[M+HCOO]- 396.10236 198.3
[M+CH3COO]- 410.11801 212.0
[M+Na-2H]- 372.07883 181.6
[M]+ 351.10361 183.8
[M]- 351.10471 183.8
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

patents stripe