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

13
Patents

234.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 146.8
[M+Na]+ 257.053278 155.7
[M-H]- 233.056784 150.8
[M+NH4]+ 252.097883 163.8
[M+K]+ 273.027218 149.8
[M+H-H2O]+ 217.061320 144.1
[M+HCOO]- 279.062261 170.7
[M+CH3COO]- 293.077911 186.4
[M+Na-2H]- 255.038726 156.5
[M]+ 234.06351142 149.4
[M]- 234.06460858 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