CID 43668501

4-chloro-6,8-dimethyl-2-phenylquinoline

Structural Information

Molecular Formula
C17H14ClN
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)Cl)C
InChI
InChI=1S/C17H14ClN/c1-11-8-12(2)17-14(9-11)15(18)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
MCCJMSALUBTGDI-UHFFFAOYSA-N
Compound name
4-chloro-6,8-dimethyl-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08148 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08876 160.0
[M+Na]+ 290.07070 179.6
[M+NH4]+ 285.11530 171.0
[M+K]+ 306.04464 168.6
[M-H]- 266.07420 166.8
[M+Na-2H]- 288.05615 171.2
[M]+ 267.08093 165.5
[M]- 267.08203 165.5
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

No patent data available for this compound.