CID 5450556

N'-(1-(4-bromophenyl)ethylidene)-3-(3-ethoxyphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19BrN4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H19BrN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
FIGGYRUVKBLDDR-LPYMAVHISA-N
Compound name
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.06915 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.076426 191.7
[M+Na]+ 449.058368 199.9
[M-H]- 425.061874 201.2
[M+NH4]+ 444.102973 203.6
[M+K]+ 465.032308 187.0
[M+H-H2O]+ 409.066410 187.3
[M+HCOO]- 471.067351 211.8
[M+CH3COO]- 485.083001 224.8
[M+Na-2H]- 447.043816 194.1
[M]+ 426.06860142 210.3
[M]- 426.06969858 210.3
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.