CID 3287505

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

Structural Information

Molecular Formula
C23H18FN3S2
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H18FN3S2/c1-15-4-6-16(7-5-15)20-14-29-23(25-20)27-21(17-8-10-18(24)11-9-17)13-19(26-27)22-3-2-12-28-22/h2-12,14,21H,13H2,1H3
InChIKey
NTVDBKMLUGQJGY-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.09262 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09990 194.9
[M+Na]+ 442.08184 208.8
[M-H]- 418.08534 208.7
[M+NH4]+ 437.12644 208.7
[M+K]+ 458.05578 200.8
[M+H-H2O]+ 402.08988 187.4
[M+HCOO]- 464.09082 209.2
[M+CH3COO]- 478.10647 206.5
[M+Na-2H]- 440.06729 187.7
[M]+ 419.09207 199.6
[M]- 419.09317 199.6
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.