CID 9647630

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

Structural Information

Molecular Formula
C27H34N4O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3OCC
InChI
InChI=1S/C27H34N4O3/c1-3-5-6-7-8-11-18-34-23-16-14-21(15-17-23)24-19-25(30-29-24)27(32)31-28-20-22-12-9-10-13-26(22)33-4-2/h9-10,12-17,19-20H,3-8,11,18H2,1-2H3,(H,29,30)(H,31,32)/b28-20+
InChIKey
HULXAISDVSTDPG-VFCFBJKWSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.2631 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.27038 215.3
[M+Na]+ 485.25232 217.9
[M-H]- 461.25582 221.3
[M+NH4]+ 480.29692 221.5
[M+K]+ 501.22626 211.6
[M+H-H2O]+ 445.26036 202.8
[M+HCOO]- 507.26130 236.6
[M+CH3COO]- 521.27695 239.1
[M+Na-2H]- 483.23777 214.5
[M]+ 462.26255 219.6
[M]- 462.26365 219.6
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.