CID 48194

Dioxaphetyl butyrate

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCOC(=O)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c1-2-26-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3
InChIKey
LQGIXNQCOXNCRP-UHFFFAOYSA-N
Compound name
ethyl 4-morpholin-4-yl-2,2-diphenylbutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5825
Patents

353.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.3
[M+Na]+ 376.18832 199.9
[M+NH4]+ 371.23292 194.3
[M+K]+ 392.16226 192.5
[M-H]- 352.19182 193.3
[M+Na-2H]- 374.17377 195.6
[M]+ 353.19855 190.8
[M]- 353.19965 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe