CID 96911

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

Structural Information

Molecular Formula
C4H6N4OSe
SMILES
CNC(=O)C1=N[Se]N=C1N
InChI
InChI=1S/C4H6N4OSe/c1-6-4(9)2-3(5)8-10-7-2/h1H3,(H2,5,8)(H,6,9)
InChIKey
KVRRSRDUIXUGCU-UHFFFAOYSA-N
Compound name
4-amino-N-methyl-1,2,5-selenadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.97067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97795 138.9
[M+Na]+ 228.95989 146.6
[M-H]- 204.96339 139.5
[M+NH4]+ 224.00449 158.2
[M+K]+ 244.93383 145.4
[M+H-H2O]+ 188.96793 130.9
[M+HCOO]- 250.96887 163.1
[M+CH3COO]- 264.98452 178.6
[M+Na-2H]- 226.94534 143.3
[M]+ 205.97012 136.9
[M]- 205.97122 136.9
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.