CID 385214

Nsc676327

Structural Information

Molecular Formula
C9H13ClN4O2
SMILES
C1C(CO1)(CNC2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C9H13ClN4O2/c10-6-1-7(14-8(11)13-6)12-2-9(3-15)4-16-5-9/h1,15H,2-5H2,(H3,11,12,13,14)
InChIKey
PRECJJKQAFVGRJ-UHFFFAOYSA-N
Compound name
[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

244.07271 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07999 150.3
[M+Na]+ 267.06193 156.9
[M-H]- 243.06543 152.9
[M+NH4]+ 262.10653 158.6
[M+K]+ 283.03587 157.1
[M+H-H2O]+ 227.06997 137.7
[M+HCOO]- 289.07091 165.2
[M+CH3COO]- 303.08656 194.5
[M+Na-2H]- 265.04738 157.1
[M]+ 244.07216 158.9
[M]- 244.07326 158.9
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.