CID 136378348

Schembl3078360

Structural Information

Molecular Formula
C4H5N5O2S
SMILES
C1(=NSC(=N1)N)/C(=N/O)/C(=O)N
InChI
InChI=1S/C4H5N5O2S/c5-2(10)1(8-11)3-7-4(6)12-9-3/h11H,(H2,5,10)(H2,6,7,9)/b8-1+
InChIKey
CGLJXYYGTNBFRV-UNXLUWIOSA-N
Compound name
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

187.0164 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.023676 134.9
[M+Na]+ 210.005618 142.7
[M-H]- 186.009124 135.8
[M+NH4]+ 205.050223 152.6
[M+K]+ 225.979558 140.8
[M+H-H2O]+ 170.013660 127.3
[M+HCOO]- 232.014601 154.3
[M+CH3COO]- 246.030251 184.0
[M+Na-2H]- 207.991066 136.6
[M]+ 187.01585142 133.0
[M]- 187.01694858 133.0
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

patents stripe