CID 9676693

N'-(2-methoxybenzylidene)-3-(4-(octyloxy)phenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H32N4O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3OC
InChI
InChI=1S/C26H32N4O3/c1-3-4-5-6-7-10-17-33-22-15-13-20(14-16-22)23-18-24(29-28-23)26(31)30-27-19-21-11-8-9-12-25(21)32-2/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,28,29)(H,30,31)/b27-19+
InChIKey
PCSNAYIFZLIIOB-ZXVVBBHZSA-N
Compound name
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.24744 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25472 211.1
[M+Na]+ 471.23666 214.1
[M-H]- 447.24016 217.3
[M+NH4]+ 466.28126 217.9
[M+K]+ 487.21060 208.1
[M+H-H2O]+ 431.24470 198.8
[M+HCOO]- 493.24564 232.7
[M+CH3COO]- 507.26129 236.2
[M+Na-2H]- 469.22211 210.8
[M]+ 448.24689 215.0
[M]- 448.24799 215.0
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.