CID 3011819

Chembl3828332

Structural Information

Molecular Formula
C12H16ClN5O
SMILES
C1C[C@H](C[C@H]1CN2C=NC3=C2N=C(N=C3Cl)N)CO
InChI
InChI=1S/C12H16ClN5O/c13-10-9-11(17-12(14)16-10)18(6-15-9)4-7-1-2-8(3-7)5-19/h6-8,19H,1-5H2,(H2,14,16,17)/t7-,8+/m0/s1
InChIKey
SSTBYTZHUFTVOM-JGVFFNPUSA-N
Compound name
[(1R,3S)-3-[(2-amino-6-chloropurin-9-yl)methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11162 163.4
[M+Na]+ 304.09356 173.8
[M-H]- 280.09706 164.9
[M+NH4]+ 299.13816 178.6
[M+K]+ 320.06750 167.8
[M+H-H2O]+ 264.10160 154.5
[M+HCOO]- 326.10254 177.4
[M+CH3COO]- 340.11819 174.2
[M+Na-2H]- 302.07901 164.3
[M]+ 281.10379 164.2
[M]- 281.10489 164.2
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.