CID 5709790

Nsc53250

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC=C(C=C1)N/N=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c15-14(16)11-7-6-10(17-11)8-12-13-9-4-2-1-3-5-9/h1-8,13H/b12-8-
InChIKey
HUZCMQIIFYRKFJ-WQLSENKSSA-N
Compound name
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 147.3
[M+Na]+ 254.053608 153.2
[M-H]- 230.057114 156.2
[M+NH4]+ 249.098213 164.3
[M+K]+ 270.027548 148.1
[M+H-H2O]+ 214.061650 144.0
[M+HCOO]- 276.062591 177.3
[M+CH3COO]- 290.078241 188.3
[M+Na-2H]- 252.039056 157.1
[M]+ 231.06384142 146.8
[M]- 231.06493858 146.8
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.