CID 3038942

Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C23H26ClNO5
SMILES
CC(C)(C(=O)OCCN1CCOCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H26ClNO5/c1-23(2,22(27)29-16-13-25-11-14-28-15-12-25)30-20-9-5-18(6-10-20)21(26)17-3-7-19(24)8-4-17/h3-10H,11-16H2,1-2H3
InChIKey
OTFGHYDRTCSCGU-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.14996 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15724 201.3
[M+Na]+ 454.13918 204.6
[M-H]- 430.14268 208.8
[M+NH4]+ 449.18378 208.0
[M+K]+ 470.11312 201.7
[M+H-H2O]+ 414.14722 191.3
[M+HCOO]- 476.14816 210.5
[M+CH3COO]- 490.16381 224.7
[M+Na-2H]- 452.12463 201.9
[M]+ 431.14941 204.7
[M]- 431.15051 204.7
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

No patent data available for this compound.