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]+ 238.06293 147.9
[M+Na]+ 260.04487 159.9
[M-H]- 236.04837 151.9
[M+NH4]+ 255.08947 167.3
[M+K]+ 276.01881 155.8
[M+H-H2O]+ 220.05291 141.9
[M+HCOO]- 282.05385 165.9
[M+CH3COO]- 296.06950 192.9
[M+Na-2H]- 258.03032 154.6
[M]+ 237.05510 154.7
[M]- 237.05620 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.