CID 6374940

125105-17-1

Structural Information

Molecular Formula
C18H16O3
SMILES
CCOC(=O)/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H16O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKey
BHKXLHNAIARBLO-SSZFMOIBSA-N
Compound name
ethyl (Z)-2-benzoyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

280.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 165.6
[M+Na]+ 303.09917 178.5
[M+NH4]+ 298.14377 172.7
[M+K]+ 319.07311 171.5
[M-H]- 279.10267 168.8
[M+Na-2H]- 301.08462 173.6
[M]+ 280.10940 168.2
[M]- 280.11050 168.2
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