CID 273482

30101-69-0

Structural Information

Molecular Formula
C9H7N7
SMILES
C1=CC=C2C(=C1)C3=NC(=NC(=N)N3N=N2)N
InChI
InChI=1S/C9H7N7/c10-8-12-7-5-3-1-2-4-6(5)14-15-16(7)9(11)13-8/h1-4H,(H3,10,11,13)
InChIKey
SQHXGGDVQLMCIH-UHFFFAOYSA-N
Compound name
4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0763 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08358 146.0
[M+Na]+ 236.06552 159.1
[M-H]- 212.06902 145.8
[M+NH4]+ 231.11012 159.6
[M+K]+ 252.03946 152.6
[M+H-H2O]+ 196.07356 136.4
[M+HCOO]- 258.07450 166.4
[M+CH3COO]- 272.09015 158.0
[M+Na-2H]- 234.05097 159.7
[M]+ 213.07575 145.8
[M]- 213.07685 145.8
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.