CID 85416

2-(4-benzoyl-3-hydroxyphenoxy)ethyl acrylate

Structural Information

Molecular Formula
C18H16O5
SMILES
C=CC(=O)OCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2
InChIKey
NMMXJQKTXREVGN-UHFFFAOYSA-N
Compound name
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3643
Patents

312.09976 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.107036 170.6
[M+Na]+ 335.088978 176.7
[M-H]- 311.092484 175.8
[M+NH4]+ 330.133583 184.0
[M+K]+ 351.062918 173.4
[M+H-H2O]+ 295.097020 162.5
[M+HCOO]- 357.097961 191.7
[M+CH3COO]- 371.113611 202.8
[M+Na-2H]- 333.074426 172.4
[M]+ 312.09921142 173.7
[M]- 312.10030858 173.7
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

patents stripe