CID 6451090

C-8-aza-2,6-dap-3'-dr

Structural Information

Molecular Formula
C10H15N7O2
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C3=NC(=NC(=C3N=N2)N)N)O)CO
InChI
InChI=1S/C10H15N7O2/c11-8-7-9(14-10(12)13-8)17(16-15-7)5-1-4(3-18)2-6(5)19/h4-6,18-19H,1-3H2,(H4,11,12,13,14)/t4-,5+,6+/m0/s1
InChIKey
VPBFATDPCNNSMF-KVQBGUIXSA-N
Compound name
(1R,2R,4S)-2-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-4-(hydroxymethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.12872 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13600 158.3
[M+Na]+ 288.11794 168.4
[M-H]- 264.12144 158.3
[M+NH4]+ 283.16254 171.0
[M+K]+ 304.09188 163.7
[M+H-H2O]+ 248.12598 149.6
[M+HCOO]- 310.12692 175.6
[M+CH3COO]- 324.14257 168.6
[M+Na-2H]- 286.10339 159.8
[M]+ 265.12817 155.8
[M]- 265.12927 155.8
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.