CID 3053115

69552-01-8

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCC(=O)OC1(CCN(C1C)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3
InChIKey
AFOFEMOYGJIMMY-UHFFFAOYSA-N
Compound name
[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 190.7
[M+Na]+ 388.18832 195.0
[M-H]- 364.19182 198.3
[M+NH4]+ 383.23292 204.7
[M+K]+ 404.16226 190.8
[M+H-H2O]+ 348.19636 181.3
[M+HCOO]- 410.19730 209.0
[M+CH3COO]- 424.21295 215.2
[M+Na-2H]- 386.17377 189.1
[M]+ 365.19855 191.2
[M]- 365.19965 191.2
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

patents stripe