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 189.6
[M+Na]+ 416.13292 192.7
[M-H]- 392.13642 197.0
[M+NH4]+ 411.17752 197.3
[M+K]+ 432.10686 184.5
[M+H-H2O]+ 376.14096 182.9
[M+HCOO]- 438.14190 212.9
[M+CH3COO]- 452.15755 218.4
[M+Na-2H]- 414.11837 193.8
[M]+ 393.14315 187.9
[M]- 393.14425 187.9
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.