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 198.5
[M+Na]+ 418.17372 203.6
[M-H]- 394.17722 206.5
[M+NH4]+ 413.21832 209.0
[M+K]+ 434.14766 196.4
[M+H-H2O]+ 378.18176 192.8
[M+HCOO]- 440.18270 222.5
[M+CH3COO]- 454.19835 221.6
[M+Na-2H]- 416.15917 203.5
[M]+ 395.18395 204.3
[M]- 395.18505 204.3
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.