CID 15954433

(1s,2r,3s)-3-(5-amino-7-chloro-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentanol

Structural Information

Molecular Formula
C10H13ClN6O2
SMILES
C1C[C@@H]([C@H]([C@H]1N2C3=C(C(=NC(=N3)N)Cl)N=N2)CO)O
InChI
InChI=1S/C10H13ClN6O2/c11-8-7-9(14-10(12)13-8)17(16-15-7)5-1-2-6(19)4(5)3-18/h4-6,18-19H,1-3H2,(H2,12,13,14)/t4-,5-,6-/m0/s1
InChIKey
PUSNFHBCHJJDQR-ZLUOBGJFSA-N
Compound name
(1S,2R,3S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07886 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08614 162.2
[M+Na]+ 307.06808 173.7
[M-H]- 283.07158 161.9
[M+NH4]+ 302.11268 175.3
[M+K]+ 323.04202 167.8
[M+H-H2O]+ 267.07612 153.5
[M+HCOO]- 329.07706 174.2
[M+CH3COO]- 343.09271 172.6
[M+Na-2H]- 305.05353 162.9
[M]+ 284.07831 162.8
[M]- 284.07941 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

literature stripe

Patent stripe

No patent data available for this compound.