CID 6093

Niridazole

Structural Information

Molecular Formula
C6H6N4O3S
SMILES
C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)
InChIKey
RDXLYGJSWZYTFJ-UHFFFAOYSA-N
Compound name
1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

433
References

3614
Patents

214.01607 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02335 142.4
[M+Na]+ 237.00529 150.4
[M-H]- 213.00879 145.1
[M+NH4]+ 232.04989 159.4
[M+K]+ 252.97923 144.0
[M+H-H2O]+ 197.01333 139.8
[M+HCOO]- 259.01427 159.2
[M+CH3COO]- 273.02992 173.1
[M+Na-2H]- 234.99074 144.8
[M]+ 214.01552 138.9
[M]- 214.01662 138.9
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

patents stripe