CID 135508815

2,8-diaza-3-deaza ddi

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C3=C(C(=O)NC=N3)N=N2
InChI
InChI=1S/C9H11N5O3/c15-3-5-1-2-6(17-5)14-8-7(12-13-14)9(16)11-4-10-8/h4-6,15H,1-3H2,(H,10,11,16)/t5-,6+/m0/s1
InChIKey
TVKYWJBUWFGEFV-NTSWFWBYSA-N
Compound name
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.08618 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 149.5
[M+Na]+ 260.07540 160.3
[M-H]- 236.07890 149.9
[M+NH4]+ 255.12000 162.3
[M+K]+ 276.04934 157.1
[M+H-H2O]+ 220.08344 140.8
[M+HCOO]- 282.08438 165.5
[M+CH3COO]- 296.10003 160.9
[M+Na-2H]- 258.06085 153.1
[M]+ 237.08563 150.0
[M]- 237.08673 150.0
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.