CID 135465389

5-amino-3-[(1s,2r,3s)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-3,6-dihydro-7h-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1C[C@@H]([C@H]([C@H]1N2C3=C(C(=O)NC(=N3)N)N=N2)CO)O
InChI
InChI=1S/C10H14N6O3/c11-10-12-8-7(9(19)13-10)14-15-16(8)5-1-2-6(18)4(5)3-17/h4-6,17-18H,1-3H2,(H3,11,12,13,19)/t4-,5-,6-/m0/s1
InChIKey
CSXIWZKHVXVDAC-ZLUOBGJFSA-N
Compound name
5-amino-3-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 158.7
[M+Na]+ 289.10195 169.3
[M-H]- 265.10545 157.7
[M+NH4]+ 284.14655 171.1
[M+K]+ 305.07589 164.0
[M+H-H2O]+ 249.10999 150.5
[M+HCOO]- 311.11093 174.4
[M+CH3COO]- 325.12658 168.9
[M+Na-2H]- 287.08740 159.8
[M]+ 266.11218 156.7
[M]- 266.11328 156.7
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.