CID 2877994

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

Structural Information

Molecular Formula
C22H16FN3S2
SMILES
C1C(N(N=C1C2=CC=CS2)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)20-13-18(21-7-4-12-27-21)25-26(20)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKey
KYHJJIBXAUYJAB-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.07697 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.08425 190.2
[M+Na]+ 428.06619 203.9
[M-H]- 404.06969 203.9
[M+NH4]+ 423.11079 204.3
[M+K]+ 444.04013 196.1
[M+H-H2O]+ 388.07423 182.6
[M+HCOO]- 450.07517 204.9
[M+CH3COO]- 464.09082 202.0
[M+Na-2H]- 426.05164 184.2
[M]+ 405.07642 194.2
[M]- 405.07752 194.2
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.