CID 214324

28066-94-6

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]+ 340.227096 184.8
[M+Na]+ 362.209038 189.7
[M-H]- 338.212544 192.2
[M+NH4]+ 357.253643 200.2
[M+K]+ 378.182978 185.0
[M+H-H2O]+ 322.217080 175.0
[M+HCOO]- 384.218021 204.8
[M+CH3COO]- 398.233671 210.6
[M+Na-2H]- 360.194486 185.7
[M]+ 339.21927142 186.2
[M]- 339.22036858 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.