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]+ 326.12993 174.4
[M+Na]+ 348.11187 184.4
[M-H]- 324.11537 181.7
[M+NH4]+ 343.15647 187.5
[M+K]+ 364.08581 178.6
[M+H-H2O]+ 308.11991 163.9
[M+HCOO]- 370.12085 196.6
[M+CH3COO]- 384.13650 211.4
[M+Na-2H]- 346.09732 175.2
[M]+ 325.12210 175.1
[M]- 325.12320 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.