CID 243274

Ethyl 2-cyano-3,3-diphenylacrylate

Structural Information

Molecular Formula
C18H15NO2
SMILES
CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
InChIKey
IAJNXBNRYMEYAZ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

23444
Patents

277.1103 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.117576 172.2
[M+Na]+ 300.099518 179.6
[M-H]- 276.103024 176.7
[M+NH4]+ 295.144123 185.6
[M+K]+ 316.073458 173.8
[M+H-H2O]+ 260.107560 157.7
[M+HCOO]- 322.108501 189.4
[M+CH3COO]- 336.124151 209.2
[M+Na-2H]- 298.084966 173.5
[M]+ 277.10975142 166.6
[M]- 277.11084858 166.6
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

patents stripe