CID 5333131

19934-26-0

Structural Information

Molecular Formula
C18H13N3O4
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O4/c22-18(14-4-2-1-3-5-14)20-19-12-16-10-11-17(25-16)13-6-8-15(9-7-13)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKey
IZXXSMPFJYXGFJ-XDHOZWIPSA-N
Compound name
N-[(E)-[5-(4-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 176.7
[M+Na]+ 358.07982 181.1
[M-H]- 334.08332 188.4
[M+NH4]+ 353.12442 188.8
[M+K]+ 374.05376 174.6
[M+H-H2O]+ 318.08786 171.6
[M+HCOO]- 380.08880 204.8
[M+CH3COO]- 394.10445 207.9
[M+Na-2H]- 356.06527 183.4
[M]+ 335.09005 176.2
[M]- 335.09115 176.2
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.