CID 51060569

881683-69-8

Structural Information

Molecular Formula
C24H18FN5O2
SMILES
C1=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/C24H18FN5O2/c25-19-13-11-17(12-14-19)22-18(16-30(29-22)21-9-5-2-6-10-21)15-26-28-24(32)23(31)27-20-7-3-1-4-8-20/h1-16H,(H,27,31)(H,28,32)/b26-15+
InChIKey
KPIKFFXIQHBYSB-CVKSISIWSA-N
Compound name
N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14444 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15172 199.6
[M+Na]+ 450.13366 204.8
[M-H]- 426.13716 210.0
[M+NH4]+ 445.17826 207.0
[M+K]+ 466.10760 198.3
[M+H-H2O]+ 410.14170 186.2
[M+HCOO]- 472.14264 223.6
[M+CH3COO]- 486.15829 208.1
[M+Na-2H]- 448.11911 202.2
[M]+ 427.14389 197.9
[M]- 427.14499 197.9
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.