CID 107548

4421-21-0

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=C(C#N)C(=O)OCC
InChI
InChI=1S/C21H22N2O3/c1-4-25-20-12-10-19(11-13-20)23(3)18-8-6-16(7-9-18)14-17(15-22)21(24)26-5-2/h6-14H,4-5H2,1-3H3
InChIKey
PGMSFYPRNSBTIQ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-[4-(4-ethoxy-N-methylanilino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.16306 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.5
[M+Na]+ 373.15228 196.7
[M+NH4]+ 368.19688 188.3
[M+K]+ 389.12622 186.7
[M-H]- 349.15578 181.6
[M+Na-2H]- 371.13773 189.2
[M]+ 350.16251 185.0
[M]- 350.16361 185.0
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