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]+ 272.09490 161.8
[M+Na]+ 294.07684 175.8
[M-H]- 270.08034 166.7
[M+NH4]+ 289.12144 178.8
[M+K]+ 310.05078 168.6
[M+H-H2O]+ 254.08488 153.1
[M+HCOO]- 316.08582 178.9
[M+CH3COO]- 330.10147 174.9
[M+Na-2H]- 292.06229 166.0
[M]+ 271.08707 167.6
[M]- 271.08817 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.