CID 9612234

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

Structural Information

Molecular Formula
C27H34N4O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)CC
InChI
InChI=1S/C27H34N4O2/c1-3-5-6-7-8-9-18-33-24-16-14-23(15-17-24)25-19-26(30-29-25)27(32)31-28-20-22-12-10-21(4-2)11-13-22/h10-17,19-20H,3-9,18H2,1-2H3,(H,29,30)(H,31,32)/b28-20+
InChIKey
LOYPQTFRHDMTGK-VFCFBJKWSA-N
Compound name
N-[(E)-(4-ethylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.2682 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.27548 213.0
[M+Na]+ 469.25742 215.9
[M-H]- 445.26092 219.0
[M+NH4]+ 464.30202 220.0
[M+K]+ 485.23136 208.8
[M+H-H2O]+ 429.26546 200.7
[M+HCOO]- 491.26640 234.1
[M+CH3COO]- 505.28205 237.0
[M+Na-2H]- 467.24287 212.0
[M]+ 446.26765 215.9
[M]- 446.26875 215.9
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.