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 171.2
[M+Na]+ 331.09408 177.5
[M-H]- 307.09758 176.3
[M+NH4]+ 326.13868 184.8
[M+K]+ 347.06802 172.6
[M+H-H2O]+ 291.10212 163.3
[M+HCOO]- 353.10306 192.0
[M+CH3COO]- 367.11871 202.2
[M+Na-2H]- 329.07953 172.4
[M]+ 308.10431 172.5
[M]- 308.10541 172.5
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