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 189.3
[M+Na]+ 373.15228 196.2
[M-H]- 349.15578 194.9
[M+NH4]+ 368.19688 200.6
[M+K]+ 389.12622 191.8
[M+H-H2O]+ 333.16032 173.7
[M+HCOO]- 395.16126 207.9
[M+CH3COO]- 409.17691 227.8
[M+Na-2H]- 371.13773 188.6
[M]+ 350.16251 187.5
[M]- 350.16361 187.5
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