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]+ 232.07167 147.3
[M+Na]+ 254.05361 153.2
[M-H]- 230.05711 156.2
[M+NH4]+ 249.09821 164.3
[M+K]+ 270.02755 148.1
[M+H-H2O]+ 214.06165 144.0
[M+HCOO]- 276.06259 177.3
[M+CH3COO]- 290.07824 188.3
[M+Na-2H]- 252.03906 157.1
[M]+ 231.06384 146.8
[M]- 231.06494 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.