CID 14746151

2-propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester

Structural Information

Molecular Formula
C21H20O6
SMILES
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H20O6/c1-2-19(22)25-14-6-7-15-26-21(24)27-18-12-10-17(11-13-18)20(23)16-8-4-3-5-9-16/h2-5,8-13H,1,6-7,14-15H2
InChIKey
XEJDJFHDOJHPJB-UHFFFAOYSA-N
Compound name
4-(4-benzoylphenoxy)carbonyloxybutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

368.12598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 186.5
[M+Na]+ 391.11520 190.7
[M-H]- 367.11870 192.2
[M+NH4]+ 386.15980 197.7
[M+K]+ 407.08914 188.2
[M+H-H2O]+ 351.12324 177.3
[M+HCOO]- 413.12418 207.4
[M+CH3COO]- 427.13983 213.8
[M+Na-2H]- 389.10065 186.7
[M]+ 368.12543 191.9
[M]- 368.12653 191.9
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

patents stripe