CID 51060835

N'-((3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)methylene)-2,4-dihydroxybenzohydrazide

Structural Information

Molecular Formula
C23H17FN4O3
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C23H17FN4O3/c24-17-8-6-15(7-9-17)22-16(14-28(27-22)18-4-2-1-3-5-18)13-25-26-23(31)20-11-10-19(29)12-21(20)30/h1-14,29-30H,(H,26,31)/b25-13+
InChIKey
RYONLCDMDWPJPD-DHRITJCHSA-N
Compound name
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.12848 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13576 200.4
[M+Na]+ 439.11770 213.6
[M+NH4]+ 434.16230 205.2
[M+K]+ 455.09164 208.3
[M-H]- 415.12120 205.8
[M+Na-2H]- 437.10315 209.8
[M]+ 416.12793 203.5
[M]- 416.12903 203.5
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.

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No patent data available for this compound.