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]+ 397.164576 194.1
[M+Na]+ 419.146518 198.0
[M-H]- 395.150024 199.8
[M+NH4]+ 414.191123 204.3
[M+K]+ 435.120458 195.8
[M+H-H2O]+ 379.154560 184.9
[M+HCOO]- 441.155501 213.3
[M+CH3COO]- 455.171151 222.4
[M+Na-2H]- 417.131966 191.5
[M]+ 396.15675142 200.2
[M]- 396.15784858 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.