CID 25584999

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₄

SMILES

CC(C)CN1C2=C(C(=CC(=N2)C3CC3)C(=O)O)C(=O)NC1=O

InChI

InChI=1S/C15H17N3O4/c1-7(2)6-18-12-11(13(19)17-15(18)22)9(14(20)21)5-10(16-12)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,20,21)(H,17,19,22)

InChIKey

UEPTUOSDEZPFLU-UHFFFAOYSA-N

Compound name

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.12192 Da
Monoisotopic Mass: 1.3
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]+	304.129196	176.8
[M+Na]+	326.111138	188.3
[M-H]-	302.114644	179.2
[M+NH4]+	321.155743	183.3
[M+K]+	342.085078	181.0
[M+H-H2O]+	286.119180	168.7
[M+HCOO]-	348.120121	191.9
[M+CH3COO]-	362.135771	205.2
[M+Na-2H]-	324.096586	177.8
[M]+	303.12137142	180.8
[M]-	303.12246858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.