CID 24834809

102476-62-0

Structural Information

Molecular Formula
C22H27NO3
SMILES
CC1CCC(N1C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO3/c1-17-13-14-20(23(17)2)15-16-26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
InChIKey
KFQJZNNJMLFWFC-UHFFFAOYSA-N
Compound name
2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 187.2
[M+Na]+ 376.188318 190.9
[M-H]- 352.191824 193.5
[M+NH4]+ 371.232923 199.3
[M+K]+ 392.162258 186.5
[M+H-H2O]+ 336.196360 178.4
[M+HCOO]- 398.197301 203.5
[M+CH3COO]- 412.212951 210.6
[M+Na-2H]- 374.173766 186.8
[M]+ 353.19855142 186.2
[M]- 353.19964858 186.2
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

No patent data available for this compound.