CID 209998

(1-methylpyrrolidin-2-yl)methyl 3-(4-methoxyphenyl)-2-phenylpropanoate

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN1CCCC1COC(=O)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c1-23-14-6-9-19(23)16-26-22(24)21(18-7-4-3-5-8-18)15-17-10-12-20(25-2)13-11-17/h3-5,7-8,10-13,19,21H,6,9,14-16H2,1-2H3
InChIKey
CLHJDBNCSWNIHX-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.7
[M+Na]+ 376.18832 199.5
[M+NH4]+ 371.23292 194.7
[M+K]+ 392.16226 194.0
[M-H]- 352.19182 192.2
[M+Na-2H]- 374.17377 194.7
[M]+ 353.19855 190.5
[M]- 353.19965 190.5
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.