CID 512709

5'-deoxy-5'-chloroformycin

Structural Information

Molecular Formula
C10H12ClN5O3
SMILES
C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O
InChI
InChI=1S/C10H12ClN5O3/c11-1-3-7(17)8(18)9(19-3)5-4-6(16-15-5)10(12)14-2-13-4/h2-3,7-9,17-18H,1H2,(H,15,16)(H2,12,13,14)/t3-,7-,8-,9+/m1/s1
InChIKey
YTYTYXVZBHJYMY-KSYZLYKTSA-N
Compound name
(2S,3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.06287 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07015 161.4
[M+Na]+ 308.05209 172.5
[M-H]- 284.05559 161.8
[M+NH4]+ 303.09669 173.9
[M+K]+ 324.02603 167.3
[M+H-H2O]+ 268.06013 154.0
[M+HCOO]- 330.06107 172.5
[M+CH3COO]- 344.07672 171.9
[M+Na-2H]- 306.03754 162.4
[M]+ 285.06232 161.9
[M]- 285.06342 161.9
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.