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

literature stripe

Patent stripe

patents stripe