CID 54736

O-demethylencainide

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H26N2O2/c1-23-15-5-4-7-18(23)12-9-16-6-2-3-8-20(16)22-21(25)17-10-13-19(24)14-11-17/h2-3,6,8,10-11,13-14,18,24H,4-5,7,9,12,15H2,1H3,(H,22,25)
InChIKey
QMHJFCPHRGVEAF-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

6
Patents

338.19943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.9
[M+Na]+ 361.18865 197.4
[M+NH4]+ 356.23325 192.1
[M+K]+ 377.16259 189.4
[M-H]- 337.19215 190.6
[M+Na-2H]- 359.17410 192.8
[M]+ 338.19888 188.2
[M]- 338.19998 188.2
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