CID 464598

172470-02-9

Structural Information

Molecular Formula
C22H22N2O2S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC=C2C)NC(=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H22N2O2S/c1-14-9-15(2)11-18(10-14)27-21-16(3)13-23-22(26)20(21)24-19(25)12-17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
RICRLAMHMKSDTK-UHFFFAOYSA-N
Compound name
N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

378.1402 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14748 190.4
[M+Na]+ 401.12942 198.3
[M-H]- 377.13292 197.9
[M+NH4]+ 396.17402 200.7
[M+K]+ 417.10336 190.5
[M+H-H2O]+ 361.13746 180.9
[M+HCOO]- 423.13840 206.2
[M+CH3COO]- 437.15405 219.4
[M+Na-2H]- 399.11487 189.8
[M]+ 378.13965 192.5
[M]- 378.14075 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe