CID 51060648

881840-08-0

Structural Information

Molecular Formula
C25H20FN5O2
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H20FN5O2/c1-17-7-13-21(14-8-17)28-24(32)25(33)29-27-15-19-16-31(22-5-3-2-4-6-22)30-23(19)18-9-11-20(26)12-10-18/h2-16H,1H3,(H,28,32)(H,29,33)/b27-15+
InChIKey
RIRKNOTYGFQGRE-JFLMPSFJSA-N
Compound name
N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(4-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1601 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.16738 206.6
[M+Na]+ 464.14932 219.0
[M+NH4]+ 459.19392 211.3
[M+K]+ 480.12326 213.0
[M-H]- 440.15282 213.0
[M+Na-2H]- 462.13477 216.6
[M]+ 441.15955 209.8
[M]- 441.16065 209.8
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.