CID 211885

23711-48-0

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

CCOC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-13-18-14(2)21-22(19(18)23)16-7-5-4-6-8-16/h4-13,21H,3H2,1-2H3

InChIKey

CJZQVKKKJMCDJZ-UHFFFAOYSA-N

Compound name

4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 321.14774 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.155016	175.8
[M+Na]+	344.136958	184.7
[M-H]-	320.140464	183.7
[M+NH4]+	339.181563	188.9
[M+K]+	360.110898	178.6
[M+H-H2O]+	304.145000	165.6
[M+HCOO]-	366.145941	199.8
[M+CH3COO]-	380.161591	209.6
[M+Na-2H]-	342.122406	178.5
[M]+	321.14719142	178.0
[M]-	321.14828858	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe