CID 385244

Nsc676357

Structural Information

Molecular Formula
C11H17ClN4O
SMILES
CN(CC1(CCC1)CO)C2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C11H17ClN4O/c1-16(6-11(7-17)3-2-4-11)9-5-8(12)14-10(13)15-9/h5,17H,2-4,6-7H2,1H3,(H2,13,14,15)
InChIKey
VLRPKCUNBJCKDY-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-chloropyrimidin-4-yl)-methylamino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1091 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11638 157.7
[M+Na]+ 279.09832 163.9
[M-H]- 255.10182 160.8
[M+NH4]+ 274.14292 167.6
[M+K]+ 295.07226 163.4
[M+H-H2O]+ 239.10636 144.9
[M+HCOO]- 301.10730 173.2
[M+CH3COO]- 315.12295 201.3
[M+Na-2H]- 277.08377 161.9
[M]+ 256.10855 166.3
[M]- 256.10965 166.3
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.