CID 6448158

82885-76-5

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)/C=C/C(=O)O

InChI

InChI=1S/C19H16O4/c1-23-18-11-8-15(13-16(18)9-12-19(21)22)17(20)10-7-14-5-3-2-4-6-14/h2-13H,1H3,(H,21,22)/b10-7+,12-9+

InChIKey

IHDBPBIXULHYNM-NWABJRNTSA-N

Compound name

(E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 308.10486 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.112136	171.2
[M+Na]+	331.094078	177.5
[M-H]-	307.097584	176.3
[M+NH4]+	326.138683	184.8
[M+K]+	347.068018	172.6
[M+H-H2O]+	291.102120	163.3
[M+HCOO]-	353.103061	192.0
[M+CH3COO]-	367.118711	202.2
[M+Na-2H]-	329.079526	172.4
[M]+	308.10431142	172.5
[M]-	308.10540858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe