CID 5355899

4-allyl-2-methoxyphenyl cinnamate

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=C(C=CC(=C1)CC=C)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H18O3/c1-3-7-16-10-12-17(18(14-16)21-2)22-19(20)13-11-15-8-5-4-6-9-15/h3-6,8-14H,1,7H2,2H3/b13-11+
InChIKey
SJKFNIODBSUYID-ACCUITESSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

294.12558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 169.1
[M+Na]+ 317.11480 176.0
[M-H]- 293.11830 175.6
[M+NH4]+ 312.15940 184.3
[M+K]+ 333.08874 171.4
[M+H-H2O]+ 277.12284 161.0
[M+HCOO]- 339.12378 192.1
[M+CH3COO]- 353.13943 202.5
[M+Na-2H]- 315.10025 171.9
[M]+ 294.12503 172.1
[M]- 294.12613 172.1
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

patents stripe