CID 44722219

N'-(2,4-dichlorobenzylidene)-3-isopropyl-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C14H14Cl2N4O
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H14Cl2N4O/c1-8(2)12-6-13(19-18-12)14(21)20-17-7-9-3-4-10(15)5-11(9)16/h3-8H,1-2H3,(H,18,19)(H,20,21)/b17-7+
InChIKey
MITSCXXXVHHGFL-REZTVBANSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.05447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06175 174.4
[M+Na]+ 347.04369 182.9
[M-H]- 323.04719 178.1
[M+NH4]+ 342.08829 188.5
[M+K]+ 363.01763 176.2
[M+H-H2O]+ 307.05173 166.4
[M+HCOO]- 369.05267 187.7
[M+CH3COO]- 383.06832 209.3
[M+Na-2H]- 345.02914 174.8
[M]+ 324.05392 176.8
[M]- 324.05502 176.8
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.