CID 135465366

Schembl23456623

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C3=C(C(=O)NC=N3)N=N2)O)O)CO
InChI
InChI=1S/C10H13N5O4/c16-2-4-1-5(8(18)7(4)17)15-9-6(13-14-15)10(19)12-3-11-9/h3-5,7-8,16-18H,1-2H2,(H,11,12,19)/t4-,5-,7-,8+/m1/s1
InChIKey
FVCABSIYWQVSTI-APOSLCTFSA-N
Compound name
3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

267.09674 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 158.7
[M+Na]+ 290.08596 169.5
[M-H]- 266.08946 156.8
[M+NH4]+ 285.13056 170.8
[M+K]+ 306.05990 164.4
[M+H-H2O]+ 250.09400 150.9
[M+HCOO]- 312.09494 172.5
[M+CH3COO]- 326.11059 168.8
[M+Na-2H]- 288.07141 159.5
[M]+ 267.09619 157.8
[M]- 267.09729 157.8
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.