CID 135406507

Benzoic acid 4-[(3-methyl-1-phenyl-5-one-4-glydene)hydrazine](4-fluorophenyl)methylene]hydrazide

Structural Information

Molecular Formula
C24H19FN6O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C24H19FN6O2/c1-16-22(24(33)31(30-16)21-5-3-2-4-6-21)28-27-20-13-9-18(10-14-20)23(32)29-26-15-17-7-11-19(25)12-8-17/h2-15,30H,1H3,(H,29,32)/b26-15+,28-27?
InChIKey
GWVPATFPFNAFEF-XPDYKXCUSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.15536 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16264 204.1
[M+Na]+ 465.14458 211.1
[M-H]- 441.14808 216.4
[M+NH4]+ 460.18918 211.7
[M+K]+ 481.11852 204.3
[M+H-H2O]+ 425.15262 190.1
[M+HCOO]- 487.15356 231.5
[M+CH3COO]- 501.16921 242.6
[M+Na-2H]- 463.13003 207.2
[M]+ 442.15481 204.3
[M]- 442.15591 204.3
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

No patent data available for this compound.