CID 6862332

N'-(2-ethoxybenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H17N5O4
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O4/c1-2-28-18-9-4-3-6-14(18)12-20-23-19(25)17-11-16(21-22-17)13-7-5-8-15(10-13)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
LFOCXQOBWOXZNS-UDWIEESQSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.135326 185.1
[M+Na]+ 402.117268 189.1
[M-H]- 378.120774 192.7
[M+NH4]+ 397.161873 193.6
[M+K]+ 418.091208 180.4
[M+H-H2O]+ 362.125310 178.4
[M+HCOO]- 424.126251 209.8
[M+CH3COO]- 438.141901 214.7
[M+Na-2H]- 400.102716 190.9
[M]+ 379.12750142 183.7
[M]- 379.12859858 183.7
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.