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 191.1
[M+Na]+ 401.10272 199.8
[M-H]- 377.10622 198.9
[M+NH4]+ 396.14732 203.5
[M+K]+ 417.07666 192.4
[M+H-H2O]+ 361.11076 180.6
[M+HCOO]- 423.11170 205.1
[M+CH3COO]- 437.12735 200.9
[M+Na-2H]- 399.08817 191.5
[M]+ 378.11295 194.4
[M]- 378.11405 194.4
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.