CID 281269

4,4'-methylenebis(methyl 3-benzoylpropionate)

Structural Information

Molecular Formula
C23H24O6
SMILES
COC(=O)CCC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)CCC(=O)OC
InChI
InChI=1S/C23H24O6/c1-28-22(26)13-11-20(24)18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)21(25)12-14-23(27)29-2/h3-10H,11-15H2,1-2H3
InChIKey
KCVJXOIHYLYNNM-UHFFFAOYSA-N
Compound name
methyl 4-[4-[[4-(4-methoxy-4-oxobutanoyl)phenyl]methyl]phenyl]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.1
[M+Na]+ 419.14652 198.0
[M-H]- 395.15002 199.8
[M+NH4]+ 414.19112 204.3
[M+K]+ 435.12046 195.8
[M+H-H2O]+ 379.15456 184.9
[M+HCOO]- 441.15550 213.3
[M+CH3COO]- 455.17115 222.4
[M+Na-2H]- 417.13197 191.5
[M]+ 396.15675 200.2
[M]- 396.15785 200.2
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.