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
3
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]+ 369.133256 186.5
[M+Na]+ 391.115198 190.7
[M-H]- 367.118704 192.2
[M+NH4]+ 386.159803 197.7
[M+K]+ 407.089138 188.2
[M+H-H2O]+ 351.123240 177.3
[M+HCOO]- 413.124181 207.4
[M+CH3COO]- 427.139831 213.8
[M+Na-2H]- 389.100646 186.7
[M]+ 368.12543142 191.9
[M]- 368.12652858 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