CID 3008491

1-(5-methoxy-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC(=O)C1=CC(=C2C(=C1OC)C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4/c1-7(15)9-6-10(14(16)17)11-8(12(9)18-2)4-3-5-13-11/h3-6H,1-2H3
InChIKey
CZSPCAIWRPZXOG-UHFFFAOYSA-N
Compound name
1-(5-methoxy-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 149.9
[M+Na]+ 269.05328 158.4
[M-H]- 245.05678 153.8
[M+NH4]+ 264.09788 166.3
[M+K]+ 285.02722 152.2
[M+H-H2O]+ 229.06132 147.3
[M+HCOO]- 291.06226 172.7
[M+CH3COO]- 305.07791 189.2
[M+Na-2H]- 267.03873 158.0
[M]+ 246.06351 151.6
[M]- 246.06461 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.