CID 9651088

N'-(1-(4-aminophenyl)ethylidene)-3-(3-ethoxyphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)N
InChI
InChI=1S/C20H21N5O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3,21H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
JLQUVIKEHBGANJ-LPYMAVHISA-N
Compound name
N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16953 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.176806 186.0
[M+Na]+ 386.158748 190.9
[M-H]- 362.162254 193.2
[M+NH4]+ 381.203353 195.9
[M+K]+ 402.132688 185.8
[M+H-H2O]+ 346.166790 175.1
[M+HCOO]- 408.167731 209.1
[M+CH3COO]- 422.183381 222.3
[M+Na-2H]- 384.144196 187.4
[M]+ 363.16898142 184.6
[M]- 363.17007858 184.6
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.