CID 3010796

(1r)-1-[(1r,3r)-3-[2-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)ethyl]-2,2-dimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C14H23N7O
SMILES
C[C@H]([C@@H]1C[C@@H](C1(C)C)CCN2C3=NC(=NC(=C3N=N2)N)N)O
InChI
InChI=1S/C14H23N7O/c1-7(22)9-6-8(14(9,2)3)4-5-21-12-10(19-20-21)11(15)17-13(16)18-12/h7-9,22H,4-6H2,1-3H3,(H4,15,16,17,18)/t7-,8+,9+/m1/s1
InChIKey
PDTJOLRZLSPVSM-VGMNWLOBSA-N
Compound name
(1R)-1-[(1R,3R)-3-[2-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)ethyl]-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1964 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20368 182.7
[M+Na]+ 328.18562 190.8
[M-H]- 304.18912 182.7
[M+NH4]+ 323.23022 188.3
[M+K]+ 344.15956 189.1
[M+H-H2O]+ 288.19366 168.0
[M+HCOO]- 350.19460 197.2
[M+CH3COO]- 364.21025 213.1
[M+Na-2H]- 326.17107 183.0
[M]+ 305.19585 191.2
[M]- 305.19695 191.2
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.