CID 3053111

69551-98-0

Structural Information

Molecular Formula
C25H33NO3
SMILES
CCCC1(CCN(C1)CCC(C2=CC=CC=C2)OC(=O)C)C3=CC(=CC=C3)OC
InChI
InChI=1S/C25H33NO3/c1-4-14-25(22-11-8-12-23(18-22)28-3)15-17-26(19-25)16-13-24(29-20(2)27)21-9-6-5-7-10-21/h5-12,18,24H,4,13-17,19H2,1-3H3
InChIKey
BGMGGZQRIMZMAO-UHFFFAOYSA-N
Compound name
[3-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]-1-phenylpropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 200.6
[M+Na]+ 418.23525 203.8
[M-H]- 394.23875 207.7
[M+NH4]+ 413.27985 213.4
[M+K]+ 434.20919 199.7
[M+H-H2O]+ 378.24329 190.8
[M+HCOO]- 440.24423 218.0
[M+CH3COO]- 454.25988 221.7
[M+Na-2H]- 416.22070 197.9
[M]+ 395.24548 202.5
[M]- 395.24658 202.5
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.