CID 5908528

Nsc689965

Structural Information

Molecular Formula
C25H20O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H20O4/c1-28-22-13-7-20(8-14-22)9-17-24(26)21-11-15-23(16-12-21)29-25(27)18-10-19-5-3-2-4-6-19/h2-18H,1H3/b17-9+,18-10+
InChIKey
LETXSODMMNFWLG-BEQMOXJMSA-N
Compound name
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.13617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14345 194.0
[M+Na]+ 407.12539 199.0
[M-H]- 383.12889 202.8
[M+NH4]+ 402.16999 204.4
[M+K]+ 423.09933 193.4
[M+H-H2O]+ 367.13343 183.5
[M+HCOO]- 429.13437 215.2
[M+CH3COO]- 443.15002 217.9
[M+Na-2H]- 405.11084 194.6
[M]+ 384.13562 196.0
[M]- 384.13672 196.0
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.