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 163.6
[M+Na]+ 308.05612 172.4
[M-H]- 284.05962 169.2
[M+NH4]+ 303.10072 177.2
[M+K]+ 324.03006 166.2
[M+H-H2O]+ 268.06416 153.2
[M+HCOO]- 330.06510 178.8
[M+CH3COO]- 344.08075 174.7
[M+Na-2H]- 306.04157 166.4
[M]+ 285.06635 164.0
[M]- 285.06745 164.0
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