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

8
Patents

280.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.117226 165.7
[M+Na]+ 303.099168 170.6
[M-H]- 279.102674 171.7
[M+NH4]+ 298.143773 180.7
[M+K]+ 319.073108 167.1
[M+H-H2O]+ 263.107210 157.6
[M+HCOO]- 325.108151 187.0
[M+CH3COO]- 339.123801 198.9
[M+Na-2H]- 301.084616 168.0
[M]+ 280.10940142 166.3
[M]- 280.11049858 166.3
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