CID 6446014

Brn 1183841

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCN(CC)CCCOC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C22H25N3O4/c1-3-24(4-2)15-6-16-28-20-8-5-7-17-9-10-18(23-22(17)20)11-12-19-13-14-21(29-19)25(26)27/h5,7-14H,3-4,6,15-16H2,1-2H3/b12-11+
InChIKey
AZUJGIGHDLYETB-VAWYXSNFSA-N
Compound name
N,N-diethyl-3-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-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 195.0
[M+Na]+ 418.17372 208.7
[M+NH4]+ 413.21832 201.3
[M+K]+ 434.14766 205.2
[M-H]- 394.17722 201.6
[M+Na-2H]- 416.15917 200.9
[M]+ 395.18395 198.7
[M]- 395.18505 198.7
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.