CID 500508

Chembl5002736

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₂

SMILES

COC1=NC(=NC(=C1)NCC2(CCC2)CO)N

InChI

InChI=1S/C11H18N4O2/c1-17-9-5-8(14-10(12)15-9)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15)

InChIKey

NZSJLMFNOYRPSO-UHFFFAOYSA-N

Compound name

[1-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.14297 Da
Monoisotopic Mass: 1.5
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]+	239.150246	156.7
[M+Na]+	261.132188	161.5
[M-H]-	237.135694	158.7
[M+NH4]+	256.176793	165.6
[M+K]+	277.106128	162.2
[M+H-H2O]+	221.140230	143.0
[M+HCOO]-	283.141171	176.2
[M+CH3COO]-	297.156821	196.7
[M+Na-2H]-	259.117636	161.9
[M]+	238.14242142	163.5
[M]-	238.14351858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.