CID 135642417

N'-(5-br-2-ho-benzylidene)-3-(2,4-dichlorophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H11BrCl2N4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C17H11BrCl2N4O2/c18-10-1-4-16(25)9(5-10)8-21-24-17(26)15-7-14(22-23-15)12-3-2-11(19)6-13(12)20/h1-8,25H,(H,22,23)(H,24,26)/b21-8+
InChIKey
AGSDAKUESHSLQF-ODCIPOBUSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.94424 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.95152 189.4
[M+Na]+ 474.93346 201.9
[M-H]- 450.93696 197.8
[M+NH4]+ 469.97806 201.8
[M+K]+ 490.90740 185.8
[M+H-H2O]+ 434.94150 186.8
[M+HCOO]- 496.94244 200.7
[M+CH3COO]- 510.95809 200.6
[M+Na-2H]- 472.91891 191.6
[M]+ 451.94369 209.8
[M]- 451.94479 209.8
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.