CID 9650678

N'-(4-methylbenzylidene)-3-(4-(octyloxy)phenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H32N4O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C
InChI
InChI=1S/C26H32N4O2/c1-3-4-5-6-7-8-17-32-23-15-13-22(14-16-23)24-18-25(29-28-24)26(31)30-27-19-21-11-9-20(2)10-12-21/h9-16,18-19H,3-8,17H2,1-2H3,(H,28,29)(H,30,31)/b27-19+
InChIKey
LIUHHKHDRPYRDG-ZXVVBBHZSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.25253 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25981 211.6
[M+Na]+ 455.24175 222.7
[M+NH4]+ 450.28635 216.4
[M+K]+ 471.21569 215.7
[M-H]- 431.24525 216.4
[M+Na-2H]- 453.22720 218.6
[M]+ 432.25198 214.2
[M]- 432.25308 214.2
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.