CID 3069114

84332-23-0

Structural Information

Molecular Formula

C₁₃H₂₁N₅O₂

SMILES

CCN1CCC(CC1)NC(=O)C2=CN=C(N=C2OC)N

InChI

InChI=1S/C13H21N5O2/c1-3-18-6-4-9(5-7-18)16-11(19)10-8-15-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,16,19)(H2,14,15,17)

InChIKey

QSSQCSXMQJQXEO-UHFFFAOYSA-N

Compound name

2-amino-N-(1-ethylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.16953 Da
Monoisotopic Mass: 0.4
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]+	280.176806	167.2
[M+Na]+	302.158748	172.3
[M-H]-	278.162254	169.0
[M+NH4]+	297.203353	178.2
[M+K]+	318.132688	169.2
[M+H-H2O]+	262.166790	157.1
[M+HCOO]-	324.167731	184.7
[M+CH3COO]-	338.183381	204.8
[M+Na-2H]-	300.144196	169.6
[M]+	279.16898142	163.5
[M]-	279.17007858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.