CID 9574264

2oh4no2phcon2 f

Structural Information

Molecular Formula
C12H9N3O5
SMILES
C1=COC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9N3O5/c16-11-6-8(15(18)19)3-4-10(11)12(17)14-13-7-9-2-1-5-20-9/h1-7,16H,(H,14,17)/b13-7+
InChIKey
NHSFPRSQNNQPPS-NTUHNPAUSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-2-hydroxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06151 157.2
[M+Na]+ 298.04345 162.7
[M-H]- 274.04695 165.1
[M+NH4]+ 293.08805 171.7
[M+K]+ 314.01739 157.6
[M+H-H2O]+ 258.05149 153.9
[M+HCOO]- 320.05243 184.9
[M+CH3COO]- 334.06808 193.4
[M+Na-2H]- 296.02890 164.7
[M]+ 275.05368 156.8
[M]- 275.05478 156.8
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.