CID 748890

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-4-fluoro-benzamide

Structural Information

Molecular Formula
C18H16FN3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H16FN3O2/c1-12-16(20-17(23)13-8-10-14(19)11-9-13)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKey
DWMYATNYVYYYRY-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.12265 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.129926 174.4
[M+Na]+ 348.111868 184.4
[M-H]- 324.115374 181.7
[M+NH4]+ 343.156473 187.5
[M+K]+ 364.085808 178.6
[M+H-H2O]+ 308.119910 163.9
[M+HCOO]- 370.120851 196.6
[M+CH3COO]- 384.136501 211.4
[M+Na-2H]- 346.097316 175.2
[M]+ 325.12210142 175.1
[M]- 325.12319858 175.1
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.