CID 464418

2cl-1-deaza-2'-da

Structural Information

Molecular Formula
C11H13ClN4O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(C=C3N)Cl)CO)O
InChI
InChI=1S/C11H13ClN4O3/c12-8-1-5(13)10-11(15-8)16(4-14-10)9-2-6(18)7(3-17)19-9/h1,4,6-7,9,17-18H,2-3H2,(H2,13,15)/t6-,7+,9+/m0/s1
InChIKey
DUCXWDWEQQGOTG-LKEWCRSYSA-N
Compound name
(2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

284.06763 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07491 161.4
[M+Na]+ 307.05685 172.6
[M-H]- 283.06035 164.2
[M+NH4]+ 302.10145 176.1
[M+K]+ 323.03079 168.0
[M+H-H2O]+ 267.06489 154.5
[M+HCOO]- 329.06583 175.0
[M+CH3COO]- 343.08148 172.9
[M+Na-2H]- 305.04230 162.6
[M]+ 284.06708 163.5
[M]- 284.06818 163.5
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.