CID 6889159

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

Structural Information

Molecular Formula
C21H20Cl2N4O
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H20Cl2N4O/c1-13(2)9-14-3-5-15(6-4-14)19-11-20(26-25-19)21(28)27-24-12-16-7-8-17(22)10-18(16)23/h3-8,10-13H,9H2,1-2H3,(H,25,26)(H,27,28)/b24-12+
InChIKey
IJQKVPAOYXMYGD-WYMPLXKRSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1014 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10868 199.0
[M+Na]+ 437.09062 213.1
[M+NH4]+ 432.13522 205.5
[M+K]+ 453.06456 205.8
[M-H]- 413.09412 204.1
[M+Na-2H]- 435.07607 207.0
[M]+ 414.10085 202.9
[M]- 414.10195 202.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.