CID 9574478

Chembl1237263

Structural Information

Molecular Formula
C21H16N4O4
SMILES
COC1=CC2=C(C=C1)N=C(C=C2N/N=C/C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C21H16N4O4/c1-28-15-7-9-18-17(11-15)20(12-19(23-18)14-5-3-2-4-6-14)24-22-13-16-8-10-21(29-16)25(26)27/h2-13H,1H3,(H,23,24)/b22-13+
InChIKey
QZNRDCLJOXRFFB-LPYMAVHISA-N
Compound name
6-methoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.11716 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12444 189.0
[M+Na]+ 411.10638 195.6
[M-H]- 387.10988 201.0
[M+NH4]+ 406.15098 198.9
[M+K]+ 427.08032 187.8
[M+H-H2O]+ 371.11442 182.3
[M+HCOO]- 433.11536 216.3
[M+CH3COO]- 447.13101 220.4
[M+Na-2H]- 409.09183 198.1
[M]+ 388.11661 192.1
[M]- 388.11771 192.1
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.