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]+ 415.15648 196.7
[M+Na]+ 437.13842 202.2
[M-H]- 413.14192 205.5
[M+NH4]+ 432.18302 204.2
[M+K]+ 453.11236 194.7
[M+H-H2O]+ 397.14646 183.4
[M+HCOO]- 459.14740 218.9
[M+CH3COO]- 473.16305 205.0
[M+Na-2H]- 435.12387 199.0
[M]+ 414.14865 195.1
[M]- 414.14975 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.