CID 217307

38522-19-9

Structural Information

Molecular Formula
C10H10N8O2
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]
InChI
InChI=1S/C10H10N8O2/c11-8-7(9(12)15-10(13)14-8)17-16-5-1-3-6(4-2-5)18(19)20/h1-4H,(H6,11,12,13,14,15)
InChIKey
YPEQJEXUPPTOKW-UHFFFAOYSA-N
Compound name
5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09268 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09996 154.6
[M+Na]+ 297.08190 165.6
[M+NH4]+ 292.12650 160.3
[M+K]+ 313.05584 164.0
[M-H]- 273.08540 161.2
[M+Na-2H]- 295.06735 162.4
[M]+ 274.09213 157.4
[M]- 274.09323 157.4
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.