CID 9567566

1-[(e)-(2-nitrothiazol-5-yl)methyleneamino]imidazolidin-2-one

Structural Information

Molecular Formula
C7H7N5O3S
SMILES
C1CN(C(=O)N1)/N=C/C2=CN=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C7H7N5O3S/c13-6-8-1-2-11(6)10-4-5-3-9-7(16-5)12(14)15/h3-4H,1-2H2,(H,8,13)/b10-4+
InChIKey
JGYQKYCMBZKXNF-ONNFQVAWSA-N
Compound name
1-[(E)-(2-nitro-1,3-thiazol-5-yl)methylideneamino]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.02696 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.03424 148.8
[M+Na]+ 264.01618 156.1
[M-H]- 240.01968 152.7
[M+NH4]+ 259.06078 164.9
[M+K]+ 279.99012 149.5
[M+H-H2O]+ 224.02422 145.3
[M+HCOO]- 286.02516 167.8
[M+CH3COO]- 300.04081 181.9
[M+Na-2H]- 262.00163 152.0
[M]+ 241.02641 145.8
[M]- 241.02751 145.8
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.