CID 5333119

(e)-n'-((5-(2-nitrophenyl)furan-2-yl)methylene)benzohydrazide

Structural Information

Molecular Formula
C18H13N3O4
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O4/c22-18(13-6-2-1-3-7-13)20-19-12-14-10-11-17(25-14)15-8-4-5-9-16(15)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKey
CLOCBMJTOFFBBL-XDHOZWIPSA-N
Compound name
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0906 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09788 176.9
[M+Na]+ 358.07982 190.1
[M+NH4]+ 353.12442 183.8
[M+K]+ 374.05376 187.7
[M-H]- 334.08332 185.8
[M+Na-2H]- 356.06527 186.0
[M]+ 335.09005 181.1
[M]- 335.09115 181.1
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.