CID 504000

1-[3-(2-fluorophenyl)-5-(2-pyridyl)-3,4-dihydropyrazol-2-yl]-2-imidazol-1-yl-ethanone

Structural Information

Molecular Formula
C19H16FN5O
SMILES
C1C(N(N=C1C2=CC=CC=N2)C(=O)CN3C=CN=C3)C4=CC=CC=C4F
InChI
InChI=1S/C19H16FN5O/c20-15-6-2-1-5-14(15)18-11-17(16-7-3-4-8-22-16)23-25(18)19(26)12-24-10-9-21-13-24/h1-10,13,18H,11-12H2
InChIKey
PWSHMIMHGOAHRQ-UHFFFAOYSA-N
Compound name
1-[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.13388 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14116 179.8
[M+Na]+ 372.12310 188.1
[M-H]- 348.12660 185.7
[M+NH4]+ 367.16770 188.7
[M+K]+ 388.09704 181.5
[M+H-H2O]+ 332.13114 166.5
[M+HCOO]- 394.13208 196.7
[M+CH3COO]- 408.14773 189.1
[M+Na-2H]- 370.10855 178.8
[M]+ 349.13333 178.4
[M]- 349.13443 178.4
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.