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 208.7
[M+Na]+ 455.24175 212.1
[M-H]- 431.24525 215.0
[M+NH4]+ 450.28635 216.4
[M+K]+ 471.21569 205.3
[M+H-H2O]+ 415.24979 196.7
[M+HCOO]- 477.25073 230.3
[M+CH3COO]- 491.26638 234.1
[M+Na-2H]- 453.22720 208.3
[M]+ 432.25198 211.4
[M]- 432.25308 211.4
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.