CID 25023707

7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=NC2=NC(=C(C=C2C(=N1)N3CCN(CC3)C4=NC=CC=N4)C(=O)N)N

InChI

InChI=1S/C20H25N9O/c1-20(2,3)18-26-16-13(11-12(15(22)30)14(21)25-16)17(27-18)28-7-9-29(10-8-28)19-23-5-4-6-24-19/h4-6,11H,7-10H2,1-3H3,(H2,22,30)(H2,21,25,26,27)

InChIKey

CKLCIJCZOIDJQU-UHFFFAOYSA-N

Compound name

7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 2
Patents: 407.2182 Da
Monoisotopic Mass: 2.3
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]+	408.22548	207.9
[M+Na]+	430.20742	214.8
[M-H]-	406.21092	208.7
[M+NH4]+	425.25202	208.6
[M+K]+	446.18136	206.6
[M+H-H2O]+	390.21546	194.7
[M+HCOO]-	452.21640	215.6
[M+CH3COO]-	466.23205	212.7
[M+Na-2H]-	428.19287	211.3
[M]+	407.21765	202.7
[M]-	407.21875	202.7

Literature stripe

Patent stripe