CID 51060875

881403-32-3

Structural Information

Molecular Formula
C25H19BrFN5O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)CNC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C25H19BrFN5O2/c26-20-6-4-5-18(13-20)25(34)28-15-23(33)30-29-14-19-16-32(22-7-2-1-3-8-22)31-24(19)17-9-11-21(27)12-10-17/h1-14,16H,15H2,(H,28,34)(H,30,33)/b29-14+
InChIKey
TULSMVJOBCWWOS-IPPBACCNSA-N
Compound name
3-bromo-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

519.0706 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.07788 217.6
[M+Na]+ 542.05982 220.3
[M+NH4]+ 537.10442 218.9
[M+K]+ 558.03376 219.7
[M-H]- 518.06332 221.6
[M+Na-2H]- 540.04527 222.9
[M]+ 519.07005 217.7
[M]- 519.07115 217.7
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.