CID 18236

Acetic acid, 2,2-diphenyl-2-methoxy-, (1-methyl-3-pyrrolidinyl) ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C20H23NO3/c1-21-14-13-18(15-21)24-19(22)20(23-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKey
FSOKUWCZMMDCMD-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.3
[M+Na]+ 348.15702 182.5
[M-H]- 324.16052 186.0
[M+NH4]+ 343.20162 191.9
[M+K]+ 364.13096 179.2
[M+H-H2O]+ 308.16506 169.2
[M+HCOO]- 370.16600 196.8
[M+CH3COO]- 384.18165 206.0
[M+Na-2H]- 346.14247 180.0
[M]+ 325.16725 178.0
[M]- 325.16835 178.0
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.