CID 219372

5,6-dimethoxy-8-nitroquinoline

Structural Information

Molecular Formula
C11H10N2O4
SMILES
COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)OC
InChI
InChI=1S/C11H10N2O4/c1-16-9-6-8(13(14)15)10-7(11(9)17-2)4-3-5-12-10/h3-6H,1-2H3
InChIKey
HDOJSHDBNBHDIM-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 146.8
[M+Na]+ 257.05328 155.7
[M-H]- 233.05678 150.8
[M+NH4]+ 252.09788 163.8
[M+K]+ 273.02722 149.8
[M+H-H2O]+ 217.06132 144.1
[M+HCOO]- 279.06226 170.7
[M+CH3COO]- 293.07791 186.4
[M+Na-2H]- 255.03873 156.5
[M]+ 234.06351 149.4
[M]- 234.06461 149.4
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

patents stripe