CID 6446015

Brn 1183222

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCN(CC)CC(C)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C22H25N3O4/c1-4-24(5-2)15-16(3)28-20-8-6-7-17-9-10-18(23-22(17)20)11-12-19-13-14-21(29-19)25(26)27/h6-14,16H,4-5,15H2,1-3H3/b12-11+
InChIKey
LRNIHNGQUZQWBI-VAWYXSNFSA-N
Compound name
N,N-diethyl-2-[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 198.5
[M+Na]+ 418.17372 203.2
[M-H]- 394.17722 206.6
[M+NH4]+ 413.21832 208.8
[M+K]+ 434.14766 196.6
[M+H-H2O]+ 378.18176 193.0
[M+HCOO]- 440.18270 221.5
[M+CH3COO]- 454.19835 222.4
[M+Na-2H]- 416.15917 202.4
[M]+ 395.18395 203.6
[M]- 395.18505 203.6
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.