CID 129909410

Chembl4085909

Structural Information

Molecular Formula
C19H20O4
SMILES
CC1=CC=CC=C1CCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C19H20O4/c1-14-5-3-4-6-16(14)11-12-23-19(21)10-8-15-7-9-17(20)18(13-15)22-2/h3-10,13,20H,11-12H2,1-2H3/b10-8+
InChIKey
BPNDBXQEGWLHME-CSKARUKUSA-N
Compound name
2-(2-methylphenyl)ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.13617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 173.5
[M+Na]+ 335.12539 180.4
[M-H]- 311.12889 178.8
[M+NH4]+ 330.16999 187.5
[M+K]+ 351.09933 176.3
[M+H-H2O]+ 295.13343 165.5
[M+HCOO]- 357.13437 194.9
[M+CH3COO]- 371.15002 204.1
[M+Na-2H]- 333.11084 175.1
[M]+ 312.13562 177.2
[M]- 312.13672 177.2
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.