CID 385223

Nsc676336

Structural Information

Molecular Formula

C₁₀H₁₅ClN₄O

SMILES

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

InChI

InChI=1S/C10H15ClN4O/c11-7-4-8(15-9(12)14-7)13-5-10(6-16)2-1-3-10/h4,16H,1-3,5-6H2,(H3,12,13,14,15)

InChIKey

JKOAOORFAJWFIW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 242.09344 Da
Monoisotopic Mass: 2.1
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]+	243.10072	152.5
[M+Na]+	265.08266	159.0
[M-H]-	241.08616	154.4
[M+NH4]+	260.12726	162.3
[M+K]+	281.05660	157.4
[M+H-H2O]+	225.09070	140.1
[M+HCOO]-	287.09164	167.9
[M+CH3COO]-	301.10729	195.3
[M+Na-2H]-	263.06811	158.0
[M]+	242.09289	159.5
[M]-	242.09399	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe