CID 18250

Acetic acid, 2,2-diphenyl-2-methoxy-, (1-isopropyl-2-pyrrolidinyl)methyl ester, hydrochloride

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC(C)N1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C23H29NO3/c1-18(2)24-16-10-15-21(24)17-27-22(25)23(26-3,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21H,10,15-17H2,1-3H3
InChIKey
VGCPJSFWTNCOLB-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpyrrolidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.5
[M+Na]+ 390.203968 193.9
[M-H]- 366.207474 198.6
[M+NH4]+ 385.248573 203.2
[M+K]+ 406.177908 190.6
[M+H-H2O]+ 350.212010 182.0
[M+HCOO]- 412.212951 207.9
[M+CH3COO]- 426.228601 215.6
[M+Na-2H]- 388.189416 190.5
[M]+ 367.21420142 191.5
[M]- 367.21529858 191.5
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.