CID 214324

3-(3-methoxyphenyl)-1-(2-phenoxyethyl)-3-propylpyrrolidine

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCCC1(CCN(C1)CCOC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C22H29NO2/c1-3-12-22(19-8-7-11-21(17-19)24-2)13-14-23(18-22)15-16-25-20-9-5-4-6-10-20/h4-11,17H,3,12-16,18H2,1-2H3
InChIKey
FYTQTAYCWJNEDW-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(2-phenoxyethyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.8
[M+Na]+ 362.20904 189.7
[M-H]- 338.21254 192.2
[M+NH4]+ 357.25364 200.2
[M+K]+ 378.18298 185.0
[M+H-H2O]+ 322.21708 175.0
[M+HCOO]- 384.21802 204.8
[M+CH3COO]- 398.23367 210.6
[M+Na-2H]- 360.19449 185.7
[M]+ 339.21927 186.2
[M]- 339.22037 186.2
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.