CID 24864079

{[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C17H11F3N4O2
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC2=C(NN=C2)C(=O)NC3=CC=C(C=C3)F)F
InChI
InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
InChIKey
BDRDBXXWQDFXEC-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

63
Patents

360.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09068 177.7
[M+Na]+ 383.07262 185.7
[M-H]- 359.07612 180.8
[M+NH4]+ 378.11722 187.8
[M+K]+ 399.04656 179.0
[M+H-H2O]+ 343.08066 165.4
[M+HCOO]- 405.08160 196.8
[M+CH3COO]- 419.09725 215.6
[M+Na-2H]- 381.05807 178.0
[M]+ 360.08285 172.6
[M]- 360.08395 172.6
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