CID 5066484

4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1h-pyrazol-1-yl]-1,3-thiazole

Structural Information

Molecular Formula
C22H15ClFN3S2
SMILES
C1C(N(N=C1C2=CC=CS2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H15ClFN3S2/c23-16-7-3-14(4-8-16)19-13-29-22(25-19)27-20(15-5-9-17(24)10-6-15)12-18(26-27)21-2-1-11-28-21/h1-11,13,20H,12H2
InChIKey
IKQKQVBVJPUXQY-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.038 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.04528 199.3
[M+Na]+ 462.02722 214.1
[M-H]- 438.03072 213.1
[M+NH4]+ 457.07182 213.1
[M+K]+ 478.00116 205.4
[M+H-H2O]+ 422.03526 191.7
[M+HCOO]- 484.03620 209.2
[M+CH3COO]- 498.05185 210.7
[M+Na-2H]- 460.01267 191.9
[M]+ 439.03745 205.6
[M]- 439.03855 205.6
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.