CID 3075173

2-propenoic acid, 2-(((2-methoxyphenyl)amino)carbonyl)-3-(2-pyridinylamino)-, ethyl ester, (e)-

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CCOC(=O)/C(=C/NC1=CC=CC=N1)/C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C18H19N3O4/c1-3-25-18(23)13(12-20-16-10-6-7-11-19-16)17(22)21-14-8-4-5-9-15(14)24-2/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b13-12+
InChIKey
PJZCVFYBDHEUPV-OUKQBFOZSA-N
Compound name
ethyl (E)-2-[(2-methoxyphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13754 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 180.2
[M+Na]+ 364.12676 190.0
[M+NH4]+ 359.17136 184.7
[M+K]+ 380.10070 185.0
[M-H]- 340.13026 182.4
[M+Na-2H]- 362.11221 186.4
[M]+ 341.13699 181.7
[M]- 341.13809 181.7
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.