CID 135493892

Nsc673509

Structural Information

Molecular Formula
C15H13N7O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/N=N/N3C=CC4=CC=CC=C43
InChI
InChI=1S/C15H13N7O2/c1-20-12-11(13(23)21(2)15(20)24)16-14(17-12)18-19-22-8-7-9-5-3-4-6-10(9)22/h3-8H,1-2H3,(H,16,17)/b19-18+
InChIKey
RSBINIDCPAMMCB-VHEBQXMUSA-N
Compound name
8-[(E)-indol-1-yldiazenyl]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11307 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12035 173.3
[M+Na]+ 346.10229 188.4
[M-H]- 322.10579 180.0
[M+NH4]+ 341.14689 187.2
[M+K]+ 362.07623 182.1
[M+H-H2O]+ 306.11033 163.3
[M+HCOO]- 368.11127 198.7
[M+CH3COO]- 382.12692 186.2
[M+Na-2H]- 344.08774 179.7
[M]+ 323.11252 180.7
[M]- 323.11362 180.7
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.