CID 3038938

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

Structural Information

Molecular Formula
C23H28ClNO4
SMILES
CCN(CC)CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H28ClNO4/c1-5-25(6-2)15-16-28-22(27)23(3,4)29-20-13-9-18(10-14-20)21(26)17-7-11-19(24)12-8-17/h7-14H,5-6,15-16H2,1-4H3
InChIKey
KSJRHRXWRDBZMY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17798 200.5
[M+Na]+ 440.15992 205.2
[M-H]- 416.16342 207.8
[M+NH4]+ 435.20452 211.8
[M+K]+ 456.13386 201.8
[M+H-H2O]+ 400.16796 192.2
[M+HCOO]- 462.16890 216.5
[M+CH3COO]- 476.18455 230.8
[M+Na-2H]- 438.14537 200.4
[M]+ 417.17015 209.0
[M]- 417.17125 209.0
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.