CID 6434486

Brn 1180984

Structural Information

Molecular Formula
C21H23N3O4
SMILES
CCN(CC)CCOC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C21H23N3O4/c1-3-23(4-2)14-15-27-19-7-5-6-16-8-9-17(22-21(16)19)10-11-18-12-13-20(28-18)24(25)26/h5-13H,3-4,14-15H2,1-2H3/b11-10+
InChIKey
KUAUMANVTUEDCF-ZHACJKMWSA-N
Compound name
N,N-diethyl-2-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 190.4
[M+Na]+ 404.15807 204.3
[M+NH4]+ 399.20267 196.9
[M+K]+ 420.13201 201.1
[M-H]- 380.16157 197.0
[M+Na-2H]- 402.14352 196.6
[M]+ 381.16830 194.1
[M]- 381.16940 194.1
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.