CID 51061067

881664-87-5

Structural Information

Molecular Formula
C25H19F2N5O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)CNC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H19F2N5O2/c26-20-10-6-17(7-11-20)24-19(16-32(31-24)22-4-2-1-3-5-22)14-29-30-23(33)15-28-25(34)18-8-12-21(27)13-9-18/h1-14,16H,15H2,(H,28,34)(H,30,33)/b29-14+
InChIKey
AIYFADPZNRUEHA-IPPBACCNSA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1507 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15798 207.4
[M+Na]+ 482.13992 212.9
[M-H]- 458.14342 216.5
[M+NH4]+ 477.18452 213.6
[M+K]+ 498.11386 205.8
[M+H-H2O]+ 442.14796 192.9
[M+HCOO]- 504.14890 229.8
[M+CH3COO]- 518.16455 240.8
[M+Na-2H]- 480.12537 208.0
[M]+ 459.15015 205.5
[M]- 459.15125 205.5
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.