CID 3075174

Ethyl (e)-2-(((4-methylphenyl)amino)carbonyl)-3-(4-pyridinylamino)-2-propenoate

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCOC(=O)/C(=C/NC1=CC=NC=C1)/C(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C18H19N3O3/c1-3-24-18(23)16(12-20-14-8-10-19-11-9-14)17(22)21-15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b16-12+
InChIKey
XZFCQLUYDJCJDR-FOWTUZBSSA-N
Compound name
ethyl (E)-2-[(4-methylphenyl)carbamoyl]-3-(pyridin-4-ylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 177.6
[M+Na]+ 348.13186 187.8
[M+NH4]+ 343.17646 182.7
[M+K]+ 364.10580 182.2
[M-H]- 324.13536 180.3
[M+Na-2H]- 346.11731 184.1
[M]+ 325.14209 179.3
[M]- 325.14319 179.3
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.