CID 9567568

1-[(e)-(2-nitrothiazol-5-yl)methyleneamino]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C7H5N5O4S
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CN=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C7H5N5O4S/c13-5-3-11(6(14)10-5)9-2-4-1-8-7(17-4)12(15)16/h1-2H,3H2,(H,10,13,14)/b9-2+
InChIKey
ZYERSUMLLWRYDP-XNWCZRBMSA-N
Compound name
1-[(E)-(2-nitro-1,3-thiazol-5-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.00623 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01351 151.6
[M+Na]+ 277.99545 159.7
[M-H]- 253.99895 155.8
[M+NH4]+ 273.04005 167.2
[M+K]+ 293.96939 152.9
[M+H-H2O]+ 238.00349 148.5
[M+HCOO]- 300.00443 170.9
[M+CH3COO]- 314.02008 184.2
[M+Na-2H]- 275.98090 154.5
[M]+ 255.00568 149.6
[M]- 255.00678 149.6
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.