CID 3065804

108936-72-7

Structural Information

Molecular Formula
C15H14ClN3
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)N3C(=CC(=N3)C)C
InChI
InChI=1S/C15H14ClN3/c1-9-6-15(19-11(3)7-10(2)18-19)17-14-5-4-12(16)8-13(9)14/h4-8H,1-3H3
InChIKey
CNWBWCRRVGTPOD-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.094896 161.8
[M+Na]+ 294.076838 175.8
[M-H]- 270.080344 166.7
[M+NH4]+ 289.121443 178.8
[M+K]+ 310.050778 168.6
[M+H-H2O]+ 254.084880 153.1
[M+HCOO]- 316.085821 178.9
[M+CH3COO]- 330.101471 174.9
[M+Na-2H]- 292.062286 166.0
[M]+ 271.08707142 167.6
[M]- 271.08816858 167.6
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.