CID 3078477

1-(3-pyridylcarbonyl)-5-(4-chlorophenyl)-2-pyrazoline

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1C=NN(C1C2=CC=C(C=C2)Cl)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H12ClN3O/c16-13-5-3-11(4-6-13)14-7-9-18-19(14)15(20)12-2-1-8-17-10-12/h1-6,8-10,14H,7H2
InChIKey
NLMKLODMWITIFV-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

285.0669 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.4
[M+Na]+ 308.05612 179.3
[M+NH4]+ 303.10072 171.5
[M+K]+ 324.03006 172.9
[M-H]- 284.05962 167.8
[M+Na-2H]- 306.04157 173.5
[M]+ 285.06635 167.2
[M]- 285.06745 167.2
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

patents stripe