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]+ 364.17681 186.0
[M+Na]+ 386.15875 190.9
[M-H]- 362.16225 193.2
[M+NH4]+ 381.20335 195.9
[M+K]+ 402.13269 185.8
[M+H-H2O]+ 346.16679 175.1
[M+HCOO]- 408.16773 209.1
[M+CH3COO]- 422.18338 222.3
[M+Na-2H]- 384.14420 187.4
[M]+ 363.16898 184.6
[M]- 363.17008 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.