CID 512710

Chembl139792

Structural Information

Molecular Formula
C10H12ClN5O
SMILES
C1C[C@@H](O[C@@H]1CCl)C2=C3C(=NN2)C(=NC=N3)N
InChI
InChI=1S/C10H12ClN5O/c11-3-5-1-2-6(17-5)7-8-9(16-15-7)10(12)14-4-13-8/h4-6H,1-3H2,(H,15,16)(H2,12,13,14)/t5-,6+/m0/s1
InChIKey
RREZNNBDQNNAEH-NTSWFWBYSA-N
Compound name
3-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.07304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08032 154.6
[M+Na]+ 276.06226 165.2
[M-H]- 252.06576 156.5
[M+NH4]+ 271.10686 169.3
[M+K]+ 292.03620 160.4
[M+H-H2O]+ 236.07030 145.8
[M+HCOO]- 298.07124 168.2
[M+CH3COO]- 312.08689 166.0
[M+Na-2H]- 274.04771 157.4
[M]+ 253.07249 154.9
[M]- 253.07359 154.9
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

No patent data available for this compound.