CID 5019320

2-chloro-1-[5-(4-methoxyphenyl)-3-(naphthalen-2-yl)-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C22H19ClN2O2
SMILES
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H19ClN2O2/c1-27-19-10-8-16(9-11-19)21-13-20(24-25(21)22(26)14-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-12,21H,13-14H2,1H3
InChIKey
JFJHUEIAEMBBMB-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12078 190.0
[M+Na]+ 401.10272 206.9
[M+NH4]+ 396.14732 198.5
[M+K]+ 417.07666 198.9
[M-H]- 377.10622 195.9
[M+Na-2H]- 399.08817 199.1
[M]+ 378.11295 194.6
[M]- 378.11405 194.6
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.