CID 96664

4-amino-1,2,5-selenadiazole-3-carboxamide

Structural Information

Molecular Formula
C3H4N4OSe
SMILES
C1(=N[Se]N=C1N)C(=O)N
InChI
InChI=1S/C3H4N4OSe/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
InChIKey
MTHSSXGAJGDHBL-UHFFFAOYSA-N
Compound name
4-amino-1,2,5-selenadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.95503 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96231 134.2
[M+Na]+ 214.94425 142.3
[M-H]- 190.94775 134.5
[M+NH4]+ 209.98885 153.7
[M+K]+ 230.91819 141.0
[M+H-H2O]+ 174.95229 126.4
[M+HCOO]- 236.95323 158.1
[M+CH3COO]- 250.96888 175.6
[M+Na-2H]- 212.92970 138.2
[M]+ 191.95448 131.0
[M]- 191.95558 131.0
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

No patent data available for this compound.