CID 25090824

79614-51-0

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₄

SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)OCC)C(=O)OCC

InChI

InChI=1S/C14H17N3O4/c1-4-17-8-10(13(19)20-5-2)11(18)9-7-15-14(21-6-3)16-12(9)17/h7-8H,4-6H2,1-3H3

InChIKey

PJWDDSNRKHPOOM-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxy-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 291.12192 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.129196	165.9
[M+Na]+	314.111138	176.2
[M-H]-	290.114644	166.9
[M+NH4]+	309.155743	178.9
[M+K]+	330.085078	173.3
[M+H-H2O]+	274.119180	156.9
[M+HCOO]-	336.120121	184.7
[M+CH3COO]-	350.135771	203.6
[M+Na-2H]-	312.096586	170.7
[M]+	291.12137142	173.0
[M]-	291.12246858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe