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]+ 432.157236 201.3
[M+Na]+ 454.139178 204.6
[M-H]- 430.142684 208.8
[M+NH4]+ 449.183783 208.0
[M+K]+ 470.113118 201.7
[M+H-H2O]+ 414.147220 191.3
[M+HCOO]- 476.148161 210.5
[M+CH3COO]- 490.163811 224.7
[M+Na-2H]- 452.124626 201.9
[M]+ 431.14941142 204.7
[M]- 431.15050858 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.