CID 24864078

(4e)-n-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C17H13FN4O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(NN=C2)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)
InChIKey
ZMWYSLJBNJUCRK-UHFFFAOYSA-N
Compound name
4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

324.10226 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10954 171.4
[M+Na]+ 347.09148 177.4
[M-H]- 323.09498 176.5
[M+NH4]+ 342.13608 182.5
[M+K]+ 363.06542 171.7
[M+H-H2O]+ 307.09952 160.5
[M+HCOO]- 369.10046 192.6
[M+CH3COO]- 383.11611 207.8
[M+Na-2H]- 345.07693 174.4
[M]+ 324.10171 167.5
[M]- 324.10281 167.5
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

patents stripe