CID 116983

71032-97-8

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CCN(CCOC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C(=O)OCC)C
InChI
InChI=1S/C24H27N3O4/c1-4-27(13-14-31-24(29)26-21-9-7-6-8-10-21)22-12-11-19(18(3)15-22)16-20(17-25)23(28)30-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKey
ZADPHJPOPUEWIO-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-[4-[ethyl-[2-(phenylcarbamoyloxy)ethyl]amino]-2-methylphenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.20016 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20744 209.3
[M+Na]+ 444.18938 213.8
[M-H]- 420.19288 214.2
[M+NH4]+ 439.23398 217.3
[M+K]+ 460.16332 210.0
[M+H-H2O]+ 404.19742 192.7
[M+HCOO]- 466.19836 227.1
[M+CH3COO]- 480.21401 241.2
[M+Na-2H]- 442.17483 206.4
[M]+ 421.19961 207.5
[M]- 421.20071 207.5
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

No patent data available for this compound.