CID 3075175

172753-10-5

Structural Information

Molecular Formula
C19H22N4O5
SMILES
CCOC(=O)/C(=C/NC1=CC(=NC(=N1)OC)OC)/C(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C19H22N4O5/c1-5-28-18(25)14(17(24)21-13-8-6-12(2)7-9-13)11-20-15-10-16(26-3)23-19(22-15)27-4/h6-11H,5H2,1-4H3,(H,21,24)(H,20,22,23)/b14-11+
InChIKey
GGZXCCIHMGYHCT-SDNWHVSQSA-N
Compound name
ethyl (E)-3-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-[(4-methylphenyl)carbamoyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15903 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16631 190.7
[M+Na]+ 409.14825 200.2
[M+NH4]+ 404.19285 193.6
[M+K]+ 425.12219 196.4
[M-H]- 385.15175 191.7
[M+Na-2H]- 407.13370 195.3
[M]+ 386.15848 191.8
[M]- 386.15958 191.8
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.