CID 55647

N-demethylencainide

Structural Information

Molecular Formula
C21H26N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CCC3CCCCN3
InChI
InChI=1S/C21H26N2O2/c1-25-19-13-10-17(11-14-19)21(24)23-20-8-3-2-6-16(20)9-12-18-7-4-5-15-22-18/h2-3,6,8,10-11,13-14,18,22H,4-5,7,9,12,15H2,1H3,(H,23,24)
InChIKey
QLMVRMLCNYDKJN-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(2-piperidin-2-ylethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

338.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.6
[M+Na]+ 361.18865 184.7
[M-H]- 337.19215 187.9
[M+NH4]+ 356.23325 192.7
[M+K]+ 377.16259 179.1
[M+H-H2O]+ 321.19669 172.2
[M+HCOO]- 383.19763 199.4
[M+CH3COO]- 397.21328 210.9
[M+Na-2H]- 359.17410 183.9
[M]+ 338.19888 177.2
[M]- 338.19998 177.2
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