CID 9571155

4-[(4-methoxybenzoyl)amino]-n-[(e)-(5-nitro-2-furyl)methyleneamino]benzamide

Structural Information

Molecular Formula
C20H16N4O6
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N4O6/c1-29-16-8-4-13(5-9-16)19(25)22-15-6-2-14(3-7-15)20(26)23-21-12-17-10-11-18(30-17)24(27)28/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKey
QLMYPSDMARLPLG-CIAFOILYSA-N
Compound name
4-[(4-methoxybenzoyl)amino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11428 193.4
[M+Na]+ 431.09622 196.1
[M-H]- 407.09972 205.1
[M+NH4]+ 426.14082 201.9
[M+K]+ 447.07016 190.8
[M+H-H2O]+ 391.10426 187.4
[M+HCOO]- 453.10520 221.1
[M+CH3COO]- 467.12085 223.9
[M+Na-2H]- 429.08167 198.7
[M]+ 408.10645 194.4
[M]- 408.10755 194.4
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.