CID 48239

2,2-diphenyl-2-methylacetic acid (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]+ 340.19072 182.3
[M+Na]+ 362.17266 184.3
[M-H]- 338.17616 189.3
[M+NH4]+ 357.21726 191.6
[M+K]+ 378.14660 181.8
[M+H-H2O]+ 322.18070 171.9
[M+HCOO]- 384.18164 197.2
[M+CH3COO]- 398.19729 208.5
[M+Na-2H]- 360.15811 186.4
[M]+ 339.18289 180.1
[M]- 339.18399 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.