CID 3087668

Ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-4-pentenoate

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCOC(=O)CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C#N
InChI
InChI=1S/C22H23NO4/c1-4-27-21(24)14-9-18(15-23)22(16-5-10-19(25-2)11-6-16)17-7-12-20(26-3)13-8-17/h5-8,10-13H,4,9,14H2,1-3H3
InChIKey
LSHWPMDSSJFYMX-UHFFFAOYSA-N
Compound name
ethyl 4-cyano-5,5-bis(4-methoxyphenyl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

365.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.8
[M+Na]+ 388.15194 198.0
[M+NH4]+ 383.19654 189.2
[M+K]+ 404.12588 188.4
[M-H]- 364.15544 181.8
[M+Na-2H]- 386.13739 189.8
[M]+ 365.16217 186.0
[M]- 365.16327 186.0
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