CID 3075171

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

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCOC(=O)/C(=C/NC1=CC=CC=N1)/C(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C18H19N3O3/c1-3-24-18(23)14(12-20-16-10-6-7-11-19-16)17(22)21-15-9-5-4-8-13(15)2/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b14-12+
InChIKey
SPALYZDBIXFJNT-WYMLVPIESA-N
Compound name
ethyl (E)-2-[(2-methylphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 177.4
[M+Na]+ 348.13186 181.2
[M-H]- 324.13536 182.1
[M+NH4]+ 343.17646 188.7
[M+K]+ 364.10580 177.8
[M+H-H2O]+ 308.13990 167.6
[M+HCOO]- 370.14084 199.4
[M+CH3COO]- 384.15649 212.2
[M+Na-2H]- 346.11731 180.1
[M]+ 325.14209 177.3
[M]- 325.14319 177.3
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.