CID 385225

Nsc676338

Structural Information

Molecular Formula

C₁₁H₁₇ClN₄O

SMILES

C1CC(C1)(CCO)CNC2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C11H17ClN4O/c12-8-6-9(16-10(13)15-8)14-7-11(4-5-17)2-1-3-11/h6,17H,1-5,7H2,(H3,13,14,15,16)

InChIKey

XJAWGTCPZMWLAC-UHFFFAOYSA-N

Compound name

2-[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.1091 Da
Monoisotopic Mass: 2.0
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]+	257.116376	156.9
[M+Na]+	279.098318	163.0
[M-H]-	255.101824	158.6
[M+NH4]+	274.142923	166.2
[M+K]+	295.072258	161.1
[M+H-H2O]+	239.106360	144.3
[M+HCOO]-	301.107301	172.0
[M+CH3COO]-	315.122951	198.2
[M+Na-2H]-	277.083766	161.9
[M]+	256.10855142	164.3
[M]-	256.10964858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.