CID 102614005

4-chloro-6,7-diethoxy-3-nitroquinoline

Structural Information

Molecular Formula
C13H13ClN2O4
SMILES
CCOC1=C(C=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])Cl)OCC
InChI
InChI=1S/C13H13ClN2O4/c1-3-19-11-5-8-9(6-12(11)20-4-2)15-7-10(13(8)14)16(17)18/h5-7H,3-4H2,1-2H3
InChIKey
YZRSGIQPJASFGY-UHFFFAOYSA-N
Compound name
4-chloro-6,7-diethoxy-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06368 160.9
[M+Na]+ 319.04562 176.6
[M+NH4]+ 314.09022 168.8
[M+K]+ 335.01956 171.7
[M-H]- 295.04912 164.2
[M+Na-2H]- 317.03107 166.8
[M]+ 296.05585 164.3
[M]- 296.05695 164.3
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.