CID 385215

Nsc676328

Structural Information

Molecular Formula
C10H15ClN4O2
SMILES
C1C(CC1(CO)O)CNC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H15ClN4O2/c11-7-1-8(15-9(12)14-7)13-4-6-2-10(17,3-6)5-16/h1,6,16-17H,2-5H2,(H3,12,13,14,15)
InChIKey
SYHBLUDCGMKILQ-UHFFFAOYSA-N
Compound name
3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-1-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.08835 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09563 156.6
[M+Na]+ 281.07757 163.2
[M-H]- 257.08107 157.5
[M+NH4]+ 276.12217 165.2
[M+K]+ 297.05151 161.5
[M+H-H2O]+ 241.08561 144.5
[M+HCOO]- 303.08655 170.6
[M+CH3COO]- 317.10220 196.4
[M+Na-2H]- 279.06302 160.9
[M]+ 258.08780 163.6
[M]- 258.08890 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.