CID 48078

2-chloro-2,2-diphenylacetic acid (2-morpholinoethyl) ester hydrochloride

Structural Information

Molecular Formula
C20H22ClNO3
SMILES
C1COCCN1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
InChI
InChI=1S/C20H22ClNO3/c21-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19(23)25-16-13-22-11-14-24-15-12-22/h1-10H,11-16H2
InChIKey
UKPCFJNIYAYAEO-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13608 184.5
[M+Na]+ 382.11802 187.7
[M-H]- 358.12152 191.5
[M+NH4]+ 377.16262 193.8
[M+K]+ 398.09196 183.7
[M+H-H2O]+ 342.12606 174.6
[M+HCOO]- 404.12700 195.1
[M+CH3COO]- 418.14265 209.1
[M+Na-2H]- 380.10347 188.6
[M]+ 359.12825 184.3
[M]- 359.12935 184.3
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.