CID 384145

4-chloro-3-(2-chloroethyl)-6,8-dimethoxy-2-methylquinoline

Structural Information

Molecular Formula
C14H15Cl2NO2
SMILES
CC1=C(C(=C2C=C(C=C(C2=N1)OC)OC)Cl)CCCl
InChI
InChI=1S/C14H15Cl2NO2/c1-8-10(4-5-15)13(16)11-6-9(18-2)7-12(19-3)14(11)17-8/h6-7H,4-5H2,1-3H3
InChIKey
PVOFRFSALKQPSX-UHFFFAOYSA-N
Compound name
4-chloro-3-(2-chloroethyl)-6,8-dimethoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

299.04797 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05525 162.5
[M+Na]+ 322.03719 174.7
[M-H]- 298.04069 165.7
[M+NH4]+ 317.08179 180.0
[M+K]+ 338.01113 169.0
[M+H-H2O]+ 282.04523 156.9
[M+HCOO]- 344.04617 174.6
[M+CH3COO]- 358.06182 204.3
[M+Na-2H]- 320.02264 166.5
[M]+ 299.04742 171.3
[M]- 299.04852 171.3
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