CID 3053125

69552-11-0

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCC(=O)OC1(CCN(C1C)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO4/c1-3-22(26)28-23(19-10-6-4-7-11-19)14-15-24(18(23)2)16-20(25)17-27-21-12-8-5-9-13-21/h4-13,18,20,25H,3,14-17H2,1-2H3
InChIKey
MPPWVRPODFJPLQ-UHFFFAOYSA-N
Compound name
[1-(2-hydroxy-3-phenoxypropyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 194.7
[M+Na]+ 406.19888 198.1
[M-H]- 382.20238 200.9
[M+NH4]+ 401.24348 207.2
[M+K]+ 422.17282 194.4
[M+H-H2O]+ 366.20692 185.4
[M+HCOO]- 428.20786 211.4
[M+CH3COO]- 442.22351 215.6
[M+Na-2H]- 404.18433 192.9
[M]+ 383.20911 195.5
[M]- 383.21021 195.5
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.