CID 459662

4-(6-chloroquinolin-2-yl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C17H15ClN2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2/c1-20(2)15-7-3-12(4-8-15)16-9-5-13-11-14(18)6-10-17(13)19-16/h3-11H,1-2H3
InChIKey
HAFRTZKCGPFBQX-UHFFFAOYSA-N
Compound name
4-(6-chloroquinolin-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.09238 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09966 164.0
[M+Na]+ 305.08160 173.6
[M-H]- 281.08510 171.6
[M+NH4]+ 300.12620 180.9
[M+K]+ 321.05554 167.6
[M+H-H2O]+ 265.08964 155.4
[M+HCOO]- 327.09058 182.6
[M+CH3COO]- 341.10623 176.4
[M+Na-2H]- 303.06705 170.6
[M]+ 282.09183 167.3
[M]- 282.09293 167.3
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.