CID 63539943

7-chloro-n-(2,2-dimethylpropyl)quinolin-4-amine

Structural Information

Molecular Formula
C14H17ClN2
SMILES
CC(C)(C)CNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C14H17ClN2/c1-14(2,3)9-17-12-6-7-16-13-8-10(15)4-5-11(12)13/h4-8H,9H2,1-3H3,(H,16,17)
InChIKey
YBJTZUHHCWIXAI-UHFFFAOYSA-N
Compound name
7-chloro-N-(2,2-dimethylpropyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11531 157.5
[M+Na]+ 271.09725 166.5
[M-H]- 247.10075 160.6
[M+NH4]+ 266.14185 175.7
[M+K]+ 287.07119 161.0
[M+H-H2O]+ 231.10529 151.2
[M+HCOO]- 293.10623 173.7
[M+CH3COO]- 307.12188 197.0
[M+Na-2H]- 269.08270 165.3
[M]+ 248.10748 160.0
[M]- 248.10858 160.0
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.