CID 48239

Acetic acid, 2,2-diphenyl-2-methyl-, (2-morpholinoethyl) ester, hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C21H25NO3/c1-21(18-8-4-2-5-9-18,19-10-6-3-7-11-19)20(23)25-17-14-22-12-15-24-16-13-22/h2-11H,12-17H2,1H3
InChIKey
OMEYNNJEYBHRQJ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 182.3
[M+Na]+ 362.172658 184.3
[M-H]- 338.176164 189.3
[M+NH4]+ 357.217263 191.6
[M+K]+ 378.146598 181.8
[M+H-H2O]+ 322.180700 171.9
[M+HCOO]- 384.181641 197.2
[M+CH3COO]- 398.197291 208.5
[M+Na-2H]- 360.158106 186.4
[M]+ 339.18289142 180.1
[M]- 339.18398858 180.1
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.