CID 4338278

1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C24H21Cl2FN2O3
SMILES
COC1=C(C(=C(C=C1)C2CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F)OC)OC
InChI
InChI=1S/C24H21Cl2FN2O3/c1-30-22-11-9-17(23(31-2)24(22)32-3)21-13-20(14-4-6-15(27)7-5-14)28-29(21)16-8-10-18(25)19(26)12-16/h4-12,21H,13H2,1-3H3
InChIKey
ZCJBPFKUGHKOKM-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.09134 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09862 211.0
[M+Na]+ 497.08056 222.3
[M-H]- 473.08406 219.9
[M+NH4]+ 492.12516 219.7
[M+K]+ 513.05450 214.4
[M+H-H2O]+ 457.08860 199.0
[M+HCOO]- 519.08954 220.5
[M+CH3COO]- 533.10519 220.0
[M+Na-2H]- 495.06601 206.8
[M]+ 474.09079 218.5
[M]- 474.09189 218.5
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.