CID 3056924

Iminourazoguanazole

Structural Information

Molecular Formula
C4H5N7O
SMILES
C1(=NC(=N)N2N1C(=NC2=O)N)N
InChI
InChI=1S/C4H5N7O/c5-1-8-2(6)11-4(12)9-3(7)10(1)11/h(H3,5,6,8)(H2,7,9,12)
InChIKey
MYDBRAAFLMIOAH-UHFFFAOYSA-N
Compound name
1,7-diamino-3-imino-[1,2,4]triazolo[1,2-a][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05556 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06284 129.0
[M+Na]+ 190.04478 142.3
[M-H]- 166.04828 130.3
[M+NH4]+ 185.08938 148.2
[M+K]+ 206.01872 139.3
[M+H-H2O]+ 150.05282 121.4
[M+HCOO]- 212.05376 155.2
[M+CH3COO]- 226.06941 143.4
[M+Na-2H]- 188.03023 135.4
[M]+ 167.05501 128.6
[M]- 167.05611 128.6
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.