CID 48241

2,2-diphenylacetic acid (2-methyl-2-morpholinopropyl) ester hydrochloride

Structural Information

Molecular Formula
C22H27NO3
SMILES
CC(C)(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C22H27NO3/c1-22(2,23-13-15-25-16-14-23)17-26-21(24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3
InChIKey
QOSYZXMHBQYESU-UHFFFAOYSA-N
Compound name
(2-methyl-2-morpholin-4-ylpropyl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 186.3
[M+Na]+ 376.18832 198.6
[M+NH4]+ 371.23292 193.3
[M+K]+ 392.16226 192.1
[M-H]- 352.19182 192.2
[M+Na-2H]- 374.17377 194.4
[M]+ 353.19855 189.8
[M]- 353.19965 189.8
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.