CID 9623963

3-(2-ethoxyphenyl)-n'-(1-(4-nitrophenyl)ethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19N5O4
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19N5O4/c1-3-29-19-7-5-4-6-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-8-10-15(11-9-14)25(27)28/h4-12H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-13+
InChIKey
MOJXVKNNYYAQGB-FYJGNVAPSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1437 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15098 189.9
[M+Na]+ 416.13292 201.2
[M+NH4]+ 411.17752 194.4
[M+K]+ 432.10686 200.3
[M-H]- 392.13642 195.2
[M+Na-2H]- 414.11837 197.2
[M]+ 393.14315 192.5
[M]- 393.14425 192.5
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.