CID 21682

Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrobromide

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCCN3C
InChI
InChI=1S/C22H27NO3/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2/h4-9,11-14,20H,3,10,15-17H2,1-2H3
InChIKey
TYROIZSRPIPTQK-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.4
[M+Na]+ 376.18832 190.6
[M-H]- 352.19182 194.6
[M+NH4]+ 371.23292 199.8
[M+K]+ 392.16226 186.9
[M+H-H2O]+ 336.19636 177.9
[M+HCOO]- 398.19730 205.2
[M+CH3COO]- 412.21295 211.9
[M+Na-2H]- 374.17377 188.0
[M]+ 353.19855 187.7
[M]- 353.19965 187.7
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.