CID 48041

Encainide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)
InChIKey
PJWPNDMDCLXCOM-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

408
References

4881
Patents

352.2151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.7
[M+Na]+ 375.20432 190.6
[M-H]- 351.20782 194.6
[M+NH4]+ 370.24892 198.2
[M+K]+ 391.17826 185.8
[M+H-H2O]+ 335.21236 176.8
[M+HCOO]- 397.21330 205.5
[M+CH3COO]- 411.22895 217.4
[M+Na-2H]- 373.18977 188.0
[M]+ 352.21455 184.8
[M]- 352.21565 184.8
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