CID 6448155

82885-73-2

Structural Information

Molecular Formula
C20H18O4
SMILES
C/C(=C\C(=O)O)/C1=C(C=CC(=C1)C(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C20H18O4/c1-14(12-20(22)23)17-13-16(9-11-19(17)24-2)18(21)10-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)/b10-8+,14-12+
InChIKey
OKCNUCLRBVLDQF-SHQVAAIUSA-N
Compound name
(E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 175.5
[M+Na]+ 345.10972 181.0
[M-H]- 321.11322 180.4
[M+NH4]+ 340.15432 188.4
[M+K]+ 361.08366 176.5
[M+H-H2O]+ 305.11776 167.6
[M+HCOO]- 367.11870 194.9
[M+CH3COO]- 381.13435 206.1
[M+Na-2H]- 343.09517 174.9
[M]+ 322.11995 176.4
[M]- 322.12105 176.4
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

No patent data available for this compound.