CID 21149919

Brn 1436938

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCC(=O)OC1(CCN(C1C)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-3-20(23)24-21(19-12-8-5-9-13-19)14-15-22(17(21)2)16-18-10-6-4-7-11-18/h4-13,17H,3,14-16H2,1-2H3
InChIKey
RJXLFZCMMQPELA-UHFFFAOYSA-N
Compound name
(1-benzyl-2-methyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.8
[M+Na]+ 346.17776 185.3
[M-H]- 322.18126 187.7
[M+NH4]+ 341.22236 195.9
[M+K]+ 362.15170 180.8
[M+H-H2O]+ 306.18580 170.6
[M+HCOO]- 368.18674 199.5
[M+CH3COO]- 382.20239 207.1
[M+Na-2H]- 344.16321 180.2
[M]+ 323.18799 179.6
[M]- 323.18909 179.6
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

patents stripe