CID 276136

P,p'-dimethoxylobelanine hydrochloride

Structural Information

Molecular Formula
C24H29NO4
SMILES
CN1C(CCCC1CC(=O)C2=CC=C(C=C2)OC)CC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H29NO4/c1-25-19(15-23(26)17-7-11-21(28-2)12-8-17)5-4-6-20(25)16-24(27)18-9-13-22(29-3)14-10-18/h7-14,19-20H,4-6,15-16H2,1-3H3
InChIKey
IOQZTVDSEMCPFD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 197.0
[M+Na]+ 418.19888 200.4
[M-H]- 394.20238 204.0
[M+NH4]+ 413.24348 205.9
[M+K]+ 434.17282 196.6
[M+H-H2O]+ 378.20692 186.1
[M+HCOO]- 440.20786 212.6
[M+CH3COO]- 454.22351 224.5
[M+Na-2H]- 416.18433 194.1
[M]+ 395.20911 197.5
[M]- 395.21021 197.5
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.