CID 5272659

1h-1,2,3-triazolo[4,5-c]pyridine, 4-chloro-1-.beta.-d-glycero-pentofuranosyl-

Structural Information

Molecular Formula
C10H11ClN4O4
SMILES
C1=CN=C(C2=C1N(N=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI
InChI=1S/C10H11ClN4O4/c11-9-6-4(1-2-12-9)15(14-13-6)10-8(18)7(17)5(3-16)19-10/h1-2,5,7-8,10,16-18H,3H2/t5-,7-,8-,10-/m1/s1
InChIKey
JSFBWTXWHLZKAF-VPCXQMTMSA-N
Compound name
(2R,3R,4S,5R)-2-(4-chlorotriazolo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04688 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05416 159.5
[M+Na]+ 309.03610 171.2
[M-H]- 285.03960 160.3
[M+NH4]+ 304.08070 172.4
[M+K]+ 325.01004 167.1
[M+H-H2O]+ 269.04414 152.3
[M+HCOO]- 331.04508 170.3
[M+CH3COO]- 345.06073 170.6
[M+Na-2H]- 307.02155 160.9
[M]+ 286.04633 162.8
[M]- 286.04743 162.8
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.