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 196.6
[M+Na]+ 439.11770 203.8
[M-H]- 415.12120 205.3
[M+NH4]+ 434.16230 204.0
[M+K]+ 455.09164 196.7
[M+H-H2O]+ 399.12574 184.3
[M+HCOO]- 461.12668 217.9
[M+CH3COO]- 475.14233 205.3
[M+Na-2H]- 437.10315 197.8
[M]+ 416.12793 195.3
[M]- 416.12903 195.3
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.