CID 71597687

[3-hydroxy-4-(2-hydroxyethyl)phenyl] (e)-3-(4-methoxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC(=C(C=C2)CCO)O
InChI
InChI=1S/C18H18O5/c1-22-15-6-2-13(3-7-15)4-9-18(21)23-16-8-5-14(10-11-19)17(20)12-16/h2-9,12,19-20H,10-11H2,1H3/b9-4+
InChIKey
SKPITPWGNCSKHG-RUDMXATFSA-N
Compound name
[3-hydroxy-4-(2-hydroxyethyl)phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 172.2
[M+Na]+ 337.10464 178.8
[M-H]- 313.10814 176.3
[M+NH4]+ 332.14924 185.3
[M+K]+ 353.07858 174.8
[M+H-H2O]+ 297.11268 164.4
[M+HCOO]- 359.11362 192.6
[M+CH3COO]- 373.12927 200.9
[M+Na-2H]- 335.09009 173.9
[M]+ 314.11487 175.1
[M]- 314.11597 175.1
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

No patent data available for this compound.