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 184.3
[M+Na]+ 369.16857 189.0
[M-H]- 345.17207 191.3
[M+NH4]+ 364.21317 195.3
[M+K]+ 385.14251 183.1
[M+H-H2O]+ 329.17661 173.4
[M+HCOO]- 391.17755 206.5
[M+CH3COO]- 405.19320 217.0
[M+Na-2H]- 367.15402 185.9
[M]+ 346.17880 183.0
[M]- 346.17990 183.0
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.