CID 3058450

75274-16-7

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CCOC(=O)C(=O)NC1=CC(=NC(=N1)C2=CC=CC=C2)OC
InChI
InChI=1S/C15H15N3O4/c1-3-22-15(20)14(19)17-11-9-12(21-2)18-13(16-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18,19)
InChIKey
DZGVNZNKUVUXRI-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methoxy-2-phenylpyrimidin-4-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.1
[M+Na]+ 324.09548 175.0
[M-H]- 300.09898 172.4
[M+NH4]+ 319.14008 179.8
[M+K]+ 340.06942 172.7
[M+H-H2O]+ 284.10352 158.3
[M+HCOO]- 346.10446 189.8
[M+CH3COO]- 360.12011 204.1
[M+Na-2H]- 322.08093 172.6
[M]+ 301.10571 171.4
[M]- 301.10681 171.4
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

patents stripe