CID 9578399

Cinchoninic acid, 2-(2-(5-nitro-2-furyl)vinyl)-, benzylidene hydrazide

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]+ 413.124436 197.0
[M+Na]+ 435.106378 202.1
[M-H]- 411.109884 208.4
[M+NH4]+ 430.150983 205.5
[M+K]+ 451.080318 193.4
[M+H-H2O]+ 395.114420 190.1
[M+HCOO]- 457.115361 223.0
[M+CH3COO]- 471.131011 222.9
[M+Na-2H]- 433.091826 204.6
[M]+ 412.11661142 198.2
[M]- 412.11770858 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.