CID 6446013

Brn 1183292

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCN(CC)CC(C)OC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C22H25N3O4/c1-4-24(5-2)15-16(3)28-21-14-17(23-20-9-7-6-8-19(20)21)10-11-18-12-13-22(29-18)25(26)27/h6-14,16H,4-5,15H2,1-3H3/b11-10+
InChIKey
LPGFYUSLFYSPRN-ZHACJKMWSA-N
Compound name
N,N-diethyl-2-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1845 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 194.3
[M+Na]+ 418.17372 207.6
[M+NH4]+ 413.21832 200.5
[M+K]+ 434.14766 205.0
[M-H]- 394.17722 200.7
[M+Na-2H]- 416.15917 200.0
[M]+ 395.18395 197.9
[M]- 395.18505 197.9
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.