CID 469100

[(5s)-5-(6-chloropurin-9-yl)-4,5-dihydroisoxazol-3-yl]methanol

Structural Information

Molecular Formula
C9H8ClN5O2
SMILES
C1[C@H](ON=C1CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C9H8ClN5O2/c10-8-7-9(12-3-11-8)15(4-13-7)6-1-5(2-16)14-17-6/h3-4,6,16H,1-2H2/t6-/m0/s1
InChIKey
YKIYEMJBGXYQTG-LURJTMIESA-N
Compound name
[(5S)-5-(6-chloropurin-9-yl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03665 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04393 151.3
[M+Na]+ 276.02587 164.0
[M-H]- 252.02937 152.8
[M+NH4]+ 271.07047 165.1
[M+K]+ 291.99981 160.1
[M+H-H2O]+ 236.03391 142.1
[M+HCOO]- 298.03485 164.9
[M+CH3COO]- 312.05050 163.5
[M+Na-2H]- 274.01132 155.6
[M]+ 253.03610 155.9
[M]- 253.03720 155.9
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.