CID 365206

7-chloro-4-(3,5-dimethyl-1h-pyrazol-1-yl)quinoline

Structural Information

Molecular Formula
C14H12ClN3
SMILES
CC1=CC(=NN1C2=C3C=CC(=CC3=NC=C2)Cl)C
InChI
InChI=1S/C14H12ClN3/c1-9-7-10(2)18(17-9)14-5-6-16-13-8-11(15)3-4-12(13)14/h3-8H,1-2H3
InChIKey
NOWCXGQSJPMTNV-UHFFFAOYSA-N
Compound name
7-chloro-4-(3,5-dimethylpyrazol-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

257.07196 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07924 156.9
[M+Na]+ 280.06118 170.4
[M-H]- 256.06468 161.5
[M+NH4]+ 275.10578 174.1
[M+K]+ 296.03512 163.4
[M+H-H2O]+ 240.06922 148.1
[M+HCOO]- 302.07016 174.4
[M+CH3COO]- 316.08581 170.1
[M+Na-2H]- 278.04663 162.4
[M]+ 257.07141 161.9
[M]- 257.07251 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.