CID 9578399

Brn 0721836

Structural Information

Molecular Formula
C23H16N4O4
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)/C=C/C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C23H16N4O4/c28-23(26-24-15-16-6-2-1-3-7-16)20-14-17(25-21-9-5-4-8-19(20)21)10-11-18-12-13-22(31-18)27(29)30/h1-15H,(H,26,28)/b11-10+,24-15+
InChIKey
XIZBGVSDVUIFNL-CBFVISSUSA-N
Compound name
N-[(E)-benzylideneamino]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.11716 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12444 197.0
[M+Na]+ 435.10638 202.1
[M-H]- 411.10988 208.4
[M+NH4]+ 430.15098 205.5
[M+K]+ 451.08032 193.4
[M+H-H2O]+ 395.11442 190.1
[M+HCOO]- 457.11536 223.0
[M+CH3COO]- 471.13101 222.9
[M+Na-2H]- 433.09183 204.6
[M]+ 412.11661 198.2
[M]- 412.11771 198.2
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.