CID 48089

Acetic acid, 2-acetoxy-2,2-diphenyl-, (2-morpholinoethyl) ester, hydrochloride

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C22H25NO5/c1-18(24)28-22(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21(25)27-17-14-23-12-15-26-16-13-23/h2-11H,12-17H2,1H3
InChIKey
BEJZJACYFSDUPC-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-acetyloxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 191.0
[M+Na]+ 406.162498 192.3
[M-H]- 382.166004 198.0
[M+NH4]+ 401.207103 198.1
[M+K]+ 422.136438 191.0
[M+H-H2O]+ 366.170540 180.3
[M+HCOO]- 428.171481 205.1
[M+CH3COO]- 442.187131 215.2
[M+Na-2H]- 404.147946 193.9
[M]+ 383.17273142 190.6
[M]- 383.17382858 190.6
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

No patent data available for this compound.