CID 11703042

Chembl204584

Structural Information

Molecular Formula
C20H15FN2OS
SMILES
C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H15FN2OS/c21-16-10-8-14(9-11-16)18-13-17(19-7-4-12-25-19)22-23(18)20(24)15-5-2-1-3-6-15/h1-12,18H,13H2
InChIKey
YLQGCRVAOAOYQS-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0889 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09618 180.9
[M+Na]+ 373.07812 190.3
[M-H]- 349.08162 191.1
[M+NH4]+ 368.12272 195.3
[M+K]+ 389.05206 183.9
[M+H-H2O]+ 333.08616 171.4
[M+HCOO]- 395.08710 197.5
[M+CH3COO]- 409.10275 192.0
[M+Na-2H]- 371.06357 177.1
[M]+ 350.08835 181.3
[M]- 350.08945 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.