CID 269158

2-chloro-5,8-dimethoxy-4-methylquinoline

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CC1=CC(=NC2=C(C=CC(=C12)OC)OC)Cl
InChI
InChI=1S/C12H12ClNO2/c1-7-6-10(13)14-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3
InChIKey
SVTDGXZOUFALGO-UHFFFAOYSA-N
Compound name
2-chloro-5,8-dimethoxy-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

237.05565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 147.9
[M+Na]+ 260.044868 159.9
[M-H]- 236.048374 151.9
[M+NH4]+ 255.089473 167.3
[M+K]+ 276.018808 155.8
[M+H-H2O]+ 220.052910 141.9
[M+HCOO]- 282.053851 165.9
[M+CH3COO]- 296.069501 192.9
[M+Na-2H]- 258.030316 154.6
[M]+ 237.05510142 154.7
[M]- 237.05619858 154.7
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.