CID 6011293

331460-44-7

Structural Information

Molecular Formula
C25H20O3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H20O3/c1-19-7-13-22(14-8-19)24(26)17-11-21-9-15-23(16-10-21)28-25(27)18-12-20-5-3-2-4-6-20/h2-18H,1H3/b17-11+,18-12+
InChIKey
ADSBSBRQOQHMHV-JYFOCSDGSA-N
Compound name
[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14124 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14852 190.7
[M+Na]+ 391.13046 196.0
[M-H]- 367.13396 199.6
[M+NH4]+ 386.17506 201.9
[M+K]+ 407.10440 189.6
[M+H-H2O]+ 351.13850 180.6
[M+HCOO]- 413.13944 211.8
[M+CH3COO]- 427.15509 215.9
[M+Na-2H]- 389.11591 191.3
[M]+ 368.14069 191.4
[M]- 368.14179 191.4
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.