CID 5354334

Nifurethazone

Structural Information

Molecular Formula
C10H15N5O4
SMILES
CN(C)CCN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H15N5O4/c1-13(2)5-6-14(10(11)16)12-7-8-3-4-9(19-8)15(17)18/h3-4,7H,5-6H2,1-2H3,(H2,11,16)/b12-7+
InChIKey
BUNREPSQNJXLTH-KPKJPENVSA-N
Compound name
1-[2-(dimethylamino)ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

269.1124 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11968 160.3
[M+Na]+ 292.10162 163.9
[M-H]- 268.10512 168.0
[M+NH4]+ 287.14622 176.2
[M+K]+ 308.07556 162.5
[M+H-H2O]+ 252.10966 156.3
[M+HCOO]- 314.11060 190.7
[M+CH3COO]- 328.12625 207.0
[M+Na-2H]- 290.08707 165.7
[M]+ 269.11185 161.3
[M]- 269.11295 161.3
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.