CID 100423

58028-68-5

Structural Information

Molecular Formula
C10H6N10O2
SMILES
C1=NC2=C(C(=N1)N=NC3=NC=NC4=C3NC(=O)N4)NC(=O)N2
InChI
InChI=1S/C10H6N10O2/c21-9-15-3-5(17-9)11-1-13-7(3)19-20-8-4-6(12-2-14-8)18-10(22)16-4/h1-2H,(H2,11,13,15,17,21)(H2,12,14,16,18,22)
InChIKey
KCUOBBOOWPELKQ-UHFFFAOYSA-N
Compound name
6-[(8-oxo-7,9-dihydropurin-6-yl)diazenyl]-7,9-dihydropurin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0675 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07478 162.9
[M+Na]+ 321.05672 177.2
[M-H]- 297.06022 162.7
[M+NH4]+ 316.10132 171.3
[M+K]+ 337.03066 168.9
[M+H-H2O]+ 281.06476 153.1
[M+HCOO]- 343.06570 181.5
[M+CH3COO]- 357.08135 173.1
[M+Na-2H]- 319.04217 172.1
[M]+ 298.06695 164.4
[M]- 298.06805 164.4
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.