CID 37016

Nno-niridazole

Structural Information

Molecular Formula
C6H5N5O4S
SMILES
C1CN(C(=O)N1C2=NC=C(S2)[N+](=O)[O-])N=O
InChI
InChI=1S/C6H5N5O4S/c12-6-9(1-2-10(6)8-13)5-7-3-4(16-5)11(14)15/h3H,1-2H2
InChIKey
UXLSSGNNPVRMMC-UHFFFAOYSA-N
Compound name
1-nitroso-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00623 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01351 147.4
[M+Na]+ 265.99545 156.1
[M-H]- 241.99895 153.1
[M+NH4]+ 261.04005 164.2
[M+K]+ 281.96939 150.9
[M+H-H2O]+ 226.00349 144.2
[M+HCOO]- 288.00443 168.3
[M+CH3COO]- 302.02008 185.5
[M+Na-2H]- 263.98090 151.2
[M]+ 243.00568 147.7
[M]- 243.00678 147.7
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

No patent data available for this compound.