CID 385243

Nsc676356

Structural Information

Molecular Formula
C11H17ClN4O
SMILES
C1CC(C1)(CCNC2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C11H17ClN4O/c12-8-6-9(16-10(13)15-8)14-5-4-11(7-17)2-1-3-11/h6,17H,1-5,7H2,(H3,13,14,15,16)
InChIKey
ALKAJXGAAROLOG-UHFFFAOYSA-N
Compound name
[1-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11638 156.9
[M+Na]+ 279.09832 163.0
[M-H]- 255.10182 158.6
[M+NH4]+ 274.14292 166.2
[M+K]+ 295.07226 161.1
[M+H-H2O]+ 239.10636 144.3
[M+HCOO]- 301.10730 172.0
[M+CH3COO]- 315.12295 198.2
[M+Na-2H]- 277.08377 161.9
[M]+ 256.10855 164.3
[M]- 256.10965 164.3
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.