CID 469084

Diaminoazapurine

Structural Information

Molecular Formula
C11H15N7O
SMILES
C1C=C[C@@H](C[C@@H]1CO)N2C3=NC(=NC(=C3N=N2)N)N
InChI
InChI=1S/C11H15N7O/c12-9-8-10(15-11(13)14-9)18(17-16-8)7-3-1-2-6(4-7)5-19/h1,3,6-7,19H,2,4-5H2,(H4,12,13,14,15)/t6-,7+/m1/s1
InChIKey
DGNVKXGXPLMRHA-RQJHMYQMSA-N
Compound name
[(1R,5R)-5-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.13382 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14110 159.5
[M+Na]+ 284.12304 169.5
[M-H]- 260.12654 159.7
[M+NH4]+ 279.16764 171.0
[M+K]+ 300.09698 163.6
[M+H-H2O]+ 244.13108 149.6
[M+HCOO]- 306.13202 176.9
[M+CH3COO]- 320.14767 169.6
[M+Na-2H]- 282.10849 164.4
[M]+ 261.13327 156.5
[M]- 261.13437 156.5
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.