CID 129908843

Chembl4078035

Structural Information

Molecular Formula
C22H20O4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C22H20O4/c1-25-21-15-16(9-11-20(21)23)10-12-22(24)26-14-13-18-7-4-6-17-5-2-3-8-19(17)18/h2-12,15,23H,13-14H2,1H3/b12-10+
InChIKey
UAGJVLTUKMMKIK-ZRDIBKRKSA-N
Compound name
2-naphthalen-1-ylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.13617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 183.2
[M+Na]+ 371.12539 189.9
[M-H]- 347.12889 189.1
[M+NH4]+ 366.16999 196.4
[M+K]+ 387.09933 184.6
[M+H-H2O]+ 331.13343 174.4
[M+HCOO]- 393.13437 203.1
[M+CH3COO]- 407.15002 210.9
[M+Na-2H]- 369.11084 186.3
[M]+ 348.13562 186.4
[M]- 348.13672 186.4
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.