CID 6863551

N'-benzylidene-3-(4-isobutylphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C21H22N4O
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C21H22N4O/c1-15(2)12-16-8-10-18(11-9-16)19-13-20(24-23-19)21(26)25-22-14-17-6-4-3-5-7-17/h3-11,13-15H,12H2,1-2H3,(H,23,24)(H,25,26)/b22-14+
InChIKey
RDEDDJARTZDPCD-HYARGMPZSA-N
Compound name
N-[(E)-benzylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.17935 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 185.8
[M+Na]+ 369.16857 197.7
[M+NH4]+ 364.21317 192.0
[M+K]+ 385.14251 192.0
[M-H]- 345.17207 191.0
[M+Na-2H]- 367.15402 194.5
[M]+ 346.17880 188.7
[M]- 346.17990 188.7
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.

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No patent data available for this compound.