CID 9626062

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

Structural Information

Molecular Formula
C28H36N4O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C28H36N4O2/c1-4-5-6-7-8-9-18-34-25-16-14-24(15-17-25)26-19-27(31-30-26)28(33)32-29-20-22-10-12-23(13-11-22)21(2)3/h10-17,19-21H,4-9,18H2,1-3H3,(H,30,31)(H,32,33)/b29-20+
InChIKey
IZDXYBHAEITCMM-ZTKZIYFRSA-N
Compound name
3-(4-octoxyphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2838 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.29108 217.9
[M+Na]+ 483.27302 220.0
[M-H]- 459.27652 223.9
[M+NH4]+ 478.31762 224.2
[M+K]+ 499.24696 213.4
[M+H-H2O]+ 443.28106 205.6
[M+HCOO]- 505.28200 237.7
[M+CH3COO]- 519.29765 240.8
[M+Na-2H]- 481.25847 215.3
[M]+ 460.28325 220.6
[M]- 460.28435 220.6
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.