CID 48261

2,2-diphenylacetic acid (3-morpholinopropyl) ester hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1COCCN1CCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO3/c23-21(25-15-7-12-22-13-16-24-17-14-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
LVHAVUFULDBFSR-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 2,2-diphenylacetate
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 183.0
[M+Na]+ 362.17266 184.2
[M-H]- 338.17616 189.7
[M+NH4]+ 357.21726 192.0
[M+K]+ 378.14660 181.6
[M+H-H2O]+ 322.18070 172.1
[M+HCOO]- 384.18164 198.4
[M+CH3COO]- 398.19729 208.9
[M+Na-2H]- 360.15811 185.0
[M]+ 339.18289 180.6
[M]- 339.18399 180.6
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

patents stripe