CID 5353592

145551-14-0

Structural Information

Molecular Formula
C19H20O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)OCCC2=CC=CC=C2)OC
InChI
InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
InChIKey
OHBFHJOQNCVEOU-PKNBQFBNSA-N
Compound name
2-phenylethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

312.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 173.7
[M+Na]+ 335.12539 180.1
[M-H]- 311.12889 180.0
[M+NH4]+ 330.16999 188.1
[M+K]+ 351.09933 176.8
[M+H-H2O]+ 295.13343 165.2
[M+HCOO]- 357.13437 196.6
[M+CH3COO]- 371.15002 205.3
[M+Na-2H]- 333.11084 176.4
[M]+ 312.13562 178.8
[M]- 312.13672 178.8
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.