CID 204011

3-(p-chlorobenzyl)-1-(3,4-dimethoxyphenethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C21H26ClNO2
SMILES
COC1=C(C=C(C=C1)CCN2CCC(C2)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H26ClNO2/c1-24-20-8-5-17(14-21(20)25-2)9-11-23-12-10-18(15-23)13-16-3-6-19(22)7-4-16/h3-8,14,18H,9-13,15H2,1-2H3
InChIKey
CYZQIPKJVDWXLE-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1652 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17248 188.2
[M+Na]+ 382.15442 195.2
[M-H]- 358.15792 195.9
[M+NH4]+ 377.19902 202.2
[M+K]+ 398.12836 188.8
[M+H-H2O]+ 342.16246 179.0
[M+HCOO]- 404.16340 203.8
[M+CH3COO]- 418.17905 214.1
[M+Na-2H]- 380.13987 186.6
[M]+ 359.16465 192.0
[M]- 359.16575 192.0
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.