CID 3069102

84332-11-6

Structural Information

Molecular Formula

C₁₃H₂₃N₅O₂

SMILES

CCN(CC)C(C)CNC(=O)C1=CN=C(N=C1OC)N

InChI

InChI=1S/C13H23N5O2/c1-5-18(6-2)9(3)7-15-11(19)10-8-16-13(14)17-12(10)20-4/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17)

InChIKey

JBRWLKQPDUMHPD-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.18518 Da
Monoisotopic Mass: 0.6
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]+	282.192456	168.8
[M+Na]+	304.174398	173.6
[M-H]-	280.177904	170.6
[M+NH4]+	299.219003	181.7
[M+K]+	320.148338	173.0
[M+H-H2O]+	264.182440	159.5
[M+HCOO]-	326.183381	191.1
[M+CH3COO]-	340.199031	213.3
[M+Na-2H]-	302.159846	170.6
[M]+	281.18463142	170.8
[M]-	281.18572858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.