CID 5354326

Nsc 6464

Structural Information

Molecular Formula
C7H8N4O4
SMILES
C/C(=N/NC(=O)N)/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O4/c1-4(9-10-7(8)12)5-2-3-6(15-5)11(13)14/h2-3H,1H3,(H3,8,10,12)/b9-4-
InChIKey
XVCZDTHDBDFRLG-WTKPLQERSA-N
Compound name
[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05455 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06183 141.9
[M+Na]+ 235.04377 147.2
[M-H]- 211.04727 147.3
[M+NH4]+ 230.08837 159.2
[M+K]+ 251.01771 144.1
[M+H-H2O]+ 195.05181 139.3
[M+HCOO]- 257.05275 170.4
[M+CH3COO]- 271.06840 186.8
[M+Na-2H]- 233.02922 148.7
[M]+ 212.05400 139.7
[M]- 212.05510 139.7
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.