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

11
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.