CID 9564462

3-(4-(benzyloxy)phenyl)-n'-(4-fluorobenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C24H19FN4O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C24H19FN4O2/c25-20-10-6-17(7-11-20)15-26-29-24(30)23-14-22(27-28-23)19-8-12-21(13-9-19)31-16-18-4-2-1-3-5-18/h1-15H,16H2,(H,27,28)(H,29,30)/b26-15+
InChIKey
HKRSPBBRUBJDOI-CVKSISIWSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1492 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.156476 196.7
[M+Na]+ 437.138418 202.2
[M-H]- 413.141924 205.5
[M+NH4]+ 432.183023 204.2
[M+K]+ 453.112358 194.7
[M+H-H2O]+ 397.146460 183.4
[M+HCOO]- 459.147401 218.9
[M+CH3COO]- 473.163051 205.0
[M+Na-2H]- 435.123866 199.0
[M]+ 414.14865142 195.1
[M]- 414.14974858 195.1
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.