CID 3075171

172753-06-9

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]+ 326.149916 177.4
[M+Na]+ 348.131858 181.2
[M-H]- 324.135364 182.1
[M+NH4]+ 343.176463 188.7
[M+K]+ 364.105798 177.8
[M+H-H2O]+ 308.139900 167.6
[M+HCOO]- 370.140841 199.4
[M+CH3COO]- 384.156491 212.2
[M+Na-2H]- 346.117306 180.1
[M]+ 325.14209142 177.3
[M]- 325.14318858 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.