CID 6448158

(e,e)-3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-2-propenoic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 172.4
[M+Na]+ 331.09408 185.1
[M+NH4]+ 326.13868 178.2
[M+K]+ 347.06802 178.3
[M-H]- 307.09758 174.5
[M+Na-2H]- 329.07953 178.8
[M]+ 308.10431 174.5
[M]- 308.10541 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe