CID 48248

2,2-diphenylacetic acid (4-morpholinobutyl) ester hydrochloride

Structural Information

Molecular Formula
C22H27NO3
SMILES
C1COCCN1CCCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c24-22(26-16-8-7-13-23-14-17-25-18-15-23)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2
InChIKey
QBGVDWLNEUSINO-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylbutyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 188.0
[M+Na]+ 376.18832 200.5
[M+NH4]+ 371.23292 195.1
[M+K]+ 392.16226 192.7
[M-H]- 352.19182 194.4
[M+Na-2H]- 374.17377 195.9
[M]+ 353.19855 191.5
[M]- 353.19965 191.5
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.