CID 17039653

4-chloro-2-propyl-6-quinolinecarbonitrile

Structural Information

Molecular Formula
C13H11ClN2
SMILES
CCCC1=CC(=C2C=C(C=CC2=N1)C#N)Cl
InChI
InChI=1S/C13H11ClN2/c1-2-3-10-7-12(14)11-6-9(8-15)4-5-13(11)16-10/h4-7H,2-3H2,1H3
InChIKey
JGKHGULLFTVYKX-UHFFFAOYSA-N
Compound name
4-chloro-2-propylquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06836 149.7
[M+Na]+ 253.05030 165.2
[M+NH4]+ 248.09490 155.9
[M+K]+ 269.02424 153.2
[M-H]- 229.05380 145.8
[M+Na-2H]- 251.03575 154.9
[M]+ 230.06053 150.5
[M]- 230.06163 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.