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]+ 463.270376 215.3
[M+Na]+ 485.252318 217.9
[M-H]- 461.255824 221.3
[M+NH4]+ 480.296923 221.5
[M+K]+ 501.226258 211.6
[M+H-H2O]+ 445.260360 202.8
[M+HCOO]- 507.261301 236.6
[M+CH3COO]- 521.276951 239.1
[M+Na-2H]- 483.237766 214.5
[M]+ 462.26255142 219.6
[M]- 462.26364858 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.