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

16
Patents

282.04074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04802 158.0
[M+Na]+ 305.02996 168.6
[M-H]- 281.03346 162.1
[M+NH4]+ 300.07456 174.4
[M+K]+ 321.00390 161.3
[M+H-H2O]+ 265.03800 156.5
[M+HCOO]- 327.03894 176.9
[M+CH3COO]- 341.05459 195.6
[M+Na-2H]- 303.01541 165.2
[M]+ 282.04019 163.9
[M]- 282.04129 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