CID 385224

Nsc676337

Structural Information

Molecular Formula
C11H17ClN4O
SMILES
CC(C1(CCC1)CNC2=CC(=NC(=N2)N)Cl)O
InChI
InChI=1S/C11H17ClN4O/c1-7(17)11(3-2-4-11)6-14-9-5-8(12)15-10(13)16-9/h5,7,17H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKey
PSJGGLMTADMOKA-UHFFFAOYSA-N
Compound name
1-[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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11638 158.9
[M+Na]+ 279.09832 164.6
[M-H]- 255.10182 160.7
[M+NH4]+ 274.14292 168.1
[M+K]+ 295.07226 163.3
[M+H-H2O]+ 239.10636 146.4
[M+HCOO]- 301.10730 173.0
[M+CH3COO]- 315.12295 199.0
[M+Na-2H]- 277.08377 162.6
[M]+ 256.10855 165.7
[M]- 256.10965 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.