CID 214322

3-(3-methoxyphenyl)-1-phenyl-3-propylpyrrolidine

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCC1(CCN(C1)C2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H25NO/c1-3-12-20(17-8-7-11-19(15-17)22-2)13-14-21(16-20)18-9-5-4-6-10-18/h4-11,15H,3,12-14,16H2,1-2H3
InChIKey
QRZFKPVYMFKYHL-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-phenyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.6
[M+Na]+ 318.182818 178.6
[M-H]- 294.186324 180.5
[M+NH4]+ 313.227423 190.0
[M+K]+ 334.156758 173.8
[M+H-H2O]+ 278.190860 163.4
[M+HCOO]- 340.191801 193.2
[M+CH3COO]- 354.207451 183.6
[M+Na-2H]- 316.168266 174.5
[M]+ 295.19305142 171.9
[M]- 295.19414858 171.9
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.