CID 459716

6-(2-benzyloxyethoxy)-8-nitroquinoline

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1=CC=C(C=C1)COCCOC2=CC(=C3C(=C2)C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N2O4/c21-20(22)17-12-16(11-15-7-4-8-19-18(15)17)24-10-9-23-13-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2
InChIKey
HPLRJAVLNLYZMT-UHFFFAOYSA-N
Compound name
8-nitro-6-(2-phenylmethoxyethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 174.1
[M+Na]+ 347.10022 179.6
[M-H]- 323.10372 179.8
[M+NH4]+ 342.14482 186.1
[M+K]+ 363.07416 171.5
[M+H-H2O]+ 307.10826 168.4
[M+HCOO]- 369.10920 196.6
[M+CH3COO]- 383.12485 202.4
[M+Na-2H]- 345.08567 182.9
[M]+ 324.11045 175.7
[M]- 324.11155 175.7
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.