CID 68862

Epicainide

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCN1CCCC1CNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H26N2O2/c1-2-23-15-9-14-19(23)16-22-20(24)21(25,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,25H,2,9,14-16H2,1H3,(H,22,24)
InChIKey
LMXFPUVUUSHCMM-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

26
Patents

338.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 182.3
[M+Na]+ 361.188648 184.8
[M-H]- 337.192154 188.3
[M+NH4]+ 356.233253 194.4
[M+K]+ 377.162588 179.9
[M+H-H2O]+ 321.196690 173.2
[M+HCOO]- 383.197631 199.8
[M+CH3COO]- 397.213281 209.4
[M+Na-2H]- 359.174096 183.7
[M]+ 338.19888142 178.4
[M]- 338.19997858 178.4
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