CID 199746

4838-44-2

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCC3
InChI
InChI=1S/C23H29NO2/c1-3-22(25)26-23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)19(2)18-24-16-10-11-17-24/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3
InChIKey
DKQFZSORLRHPCC-UHFFFAOYSA-N
Compound name
(2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.8
[M+Na]+ 374.209038 190.4
[M-H]- 350.212544 195.4
[M+NH4]+ 369.253643 200.9
[M+K]+ 390.182978 186.4
[M+H-H2O]+ 334.217080 179.1
[M+HCOO]- 396.218021 205.0
[M+CH3COO]- 410.233671 212.5
[M+Na-2H]- 372.194486 188.2
[M]+ 351.21927142 187.0
[M]- 351.22036858 187.0
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.