CID 6446017

N,n-diethyl-n'-(2-(2-(5-nitro-2-furanyl)ethenyl)-4-quinolinyl)-1,2-ethanediamine 3hcl

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O3/c1-3-24(4-2)14-13-22-20-15-16(23-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)25(26)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)/b10-9+
InChIKey
VHGMSHJKSKBING-MDZDMXLPSA-N
Compound name
N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 191.5
[M+Na]+ 403.17406 204.5
[M+NH4]+ 398.21866 198.0
[M+K]+ 419.14800 201.1
[M-H]- 379.17756 198.8
[M+Na-2H]- 401.15951 197.8
[M]+ 380.18429 195.2
[M]- 380.18539 195.2
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.