CID 136162606

108030-65-5

Structural Information

Molecular Formula
C5H4N6O2
SMILES
C1=NC(=C2N1C(=O)NN=N2)C(=O)N
InChI
InChI=1S/C5H4N6O2/c6-3(12)2-4-8-10-9-5(13)11(4)1-7-2/h1H,(H2,6,12)(H,8,9,13)
InChIKey
SWRRSVJSVVRGKD-UHFFFAOYSA-N
Compound name
4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.03957 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04685 133.9
[M+Na]+ 203.02879 146.2
[M-H]- 179.03229 131.7
[M+NH4]+ 198.07339 148.9
[M+K]+ 219.00273 142.5
[M+H-H2O]+ 163.03683 125.5
[M+HCOO]- 225.03777 153.8
[M+CH3COO]- 239.05342 146.5
[M+Na-2H]- 201.01424 141.9
[M]+ 180.03902 134.0
[M]- 180.04012 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe