CID 10968005

5-chloro-2,6-dimethoxy-4-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C12H11ClN2O4
SMILES
CC1=CC(=NC2=C1C(=C(C=C2[N+](=O)[O-])OC)Cl)OC
InChI
InChI=1S/C12H11ClN2O4/c1-6-4-9(19-3)14-12-7(15(16)17)5-8(18-2)11(13)10(6)12/h4-5H,1-3H3
InChIKey
VZVNAHCSVNVONJ-UHFFFAOYSA-N
Compound name
5-chloro-2,6-dimethoxy-4-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

282.04074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.048016 158.0
[M+Na]+ 305.029958 168.6
[M-H]- 281.033464 162.1
[M+NH4]+ 300.074563 174.4
[M+K]+ 321.003898 161.3
[M+H-H2O]+ 265.038000 156.5
[M+HCOO]- 327.038941 176.9
[M+CH3COO]- 341.054591 195.6
[M+Na-2H]- 303.015406 165.2
[M]+ 282.04019142 163.9
[M]- 282.04128858 163.9
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