CID 355879

Nsc649901

Structural Information

Molecular Formula
C11H7N9O2
SMILES
CN1C(=O)C(C2=NC3=CC=CC=C3N2C1=O)(N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C11H7N9O2/c1-19-9(21)11(15-17-12,16-18-13)8-14-6-4-2-3-5-7(6)20(8)10(19)22/h2-5H,1H3
InChIKey
JRCTYJWPPKXNIG-UHFFFAOYSA-N
Compound name
4,4-diazido-2-methylpyrimido[1,6-a]benzimidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07955 156.5
[M+Na]+ 320.06149 165.4
[M-H]- 296.06499 164.0
[M+NH4]+ 315.10609 172.7
[M+K]+ 336.03543 153.2
[M+H-H2O]+ 280.06953 155.0
[M+HCOO]- 342.07047 187.6
[M+CH3COO]- 356.08612 208.8
[M+Na-2H]- 318.04694 173.9
[M]+ 297.07172 153.8
[M]- 297.07282 153.8
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.