CID 3020141

Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate

Structural Information

Molecular Formula
C19H23ClO6
SMILES
CCOC(=O)C(C(C1=CC=C(C=C1)Cl)C(C(=O)C)C(=O)OCC)C(=O)C
InChI
InChI=1S/C19H23ClO6/c1-5-25-18(23)15(11(3)21)17(13-7-9-14(20)10-8-13)16(12(4)22)19(24)26-6-2/h7-10,15-17H,5-6H2,1-4H3
InChIKey
DNQLYCOOQIWASI-UHFFFAOYSA-N
Compound name
diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.11832 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12560 183.3
[M+Na]+ 405.10754 191.3
[M+NH4]+ 400.15214 186.7
[M+K]+ 421.08148 189.2
[M-H]- 381.11104 180.8
[M+Na-2H]- 403.09299 184.2
[M]+ 382.11777 183.5
[M]- 382.11887 183.5
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.