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]+ 384.18056 191.0
[M+Na]+ 406.16250 192.3
[M-H]- 382.16600 198.0
[M+NH4]+ 401.20710 198.1
[M+K]+ 422.13644 191.0
[M+H-H2O]+ 366.17054 180.3
[M+HCOO]- 428.17148 205.1
[M+CH3COO]- 442.18713 215.2
[M+Na-2H]- 404.14795 193.9
[M]+ 383.17273 190.6
[M]- 383.17383 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.