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

literature stripe

Patent stripe

patents stripe