CID 135446917

3h-1,2,3-triazolo[4,5-d]pyrimidin-7-ol, 5-amino-3-[2-[(1r,3r)-3-[(1r)-1-hydroxyethyl]-2,2-dimethylcyclobutyl]ethyl]-

Structural Information

Molecular Formula
C14H22N6O2
SMILES
C[C@H]([C@@H]1C[C@@H](C1(C)C)CCN2C3=C(C(=O)NC(=N3)N)N=N2)O
InChI
InChI=1S/C14H22N6O2/c1-7(21)9-6-8(14(9,2)3)4-5-20-11-10(18-19-20)12(22)17-13(15)16-11/h7-9,21H,4-6H2,1-3H3,(H3,15,16,17,22)/t7-,8+,9+/m1/s1
InChIKey
XRINAYGXKVCYTM-VGMNWLOBSA-N
Compound name
5-amino-3-[2-[(1R,3R)-3-[(1R)-1-hydroxyethyl]-2,2-dimethylcyclobutyl]ethyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.18042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 180.6
[M+Na]+ 329.16964 189.2
[M-H]- 305.17314 179.8
[M+NH4]+ 324.21424 186.0
[M+K]+ 345.14358 187.0
[M+H-H2O]+ 289.17768 166.6
[M+HCOO]- 351.17862 193.6
[M+CH3COO]- 365.19427 207.9
[M+Na-2H]- 327.15509 180.9
[M]+ 306.17987 189.6
[M]- 306.18097 189.6
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.