CID 459663

6-chloro-2-(p-diethylaminophenyl)quinoline

Structural Information

Molecular Formula
C19H19ClN2
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)Cl
InChI
InChI=1S/C19H19ClN2/c1-3-22(4-2)17-9-5-14(6-10-17)18-11-7-15-13-16(20)8-12-19(15)21-18/h5-13H,3-4H2,1-2H3
InChIKey
COKMMOZPHSAURK-UHFFFAOYSA-N
Compound name
4-(6-chloroquinolin-2-yl)-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1237 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13098 173.4
[M+Na]+ 333.11292 182.1
[M-H]- 309.11642 180.6
[M+NH4]+ 328.15752 189.1
[M+K]+ 349.08686 175.7
[M+H-H2O]+ 293.12096 164.4
[M+HCOO]- 355.12190 191.3
[M+CH3COO]- 369.13755 184.9
[M+Na-2H]- 331.09837 178.8
[M]+ 310.12315 177.3
[M]- 310.12425 177.3
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

No patent data available for this compound.