CID 9621244

N'-(1-(4-bromophenyl)ethylidene)-3-(2-ethoxyphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19BrN4O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H19BrN4O2/c1-3-27-19-7-5-4-6-16(19)17-12-18(24-23-17)20(26)25-22-13(2)14-8-10-15(21)11-9-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
PEIYAFHVUZDUBT-LPYMAVHISA-N
Compound name
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(2-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]+ 427.07643 191.7
[M+Na]+ 449.05837 199.9
[M-H]- 425.06187 201.2
[M+NH4]+ 444.10297 203.6
[M+K]+ 465.03231 187.0
[M+H-H2O]+ 409.06641 187.3
[M+HCOO]- 471.06735 211.8
[M+CH3COO]- 485.08300 224.8
[M+Na-2H]- 447.04382 194.1
[M]+ 426.06860 210.3
[M]- 426.06970 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.