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]+ 385.143446 194.0
[M+Na]+ 407.125388 199.0
[M-H]- 383.128894 202.8
[M+NH4]+ 402.169993 204.4
[M+K]+ 423.099328 193.4
[M+H-H2O]+ 367.133430 183.5
[M+HCOO]- 429.134371 215.2
[M+CH3COO]- 443.150021 217.9
[M+Na-2H]- 405.110836 194.6
[M]+ 384.13562142 196.0
[M]- 384.13671858 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.