CID 36055

4-[(n-4-methoxybenzylidene)amino]antipyrine

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC

InChI

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

InChIKey

ZGXWYJRISPAZPS-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 321.14774 Da
Monoisotopic Mass: 2.1
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	175.9
[M+Na]+	344.136958	186.1
[M-H]-	320.140464	185.5
[M+NH4]+	339.181563	190.0
[M+K]+	360.110898	180.9
[M+H-H2O]+	304.145000	165.6
[M+HCOO]-	366.145941	201.3
[M+CH3COO]-	380.161591	213.2
[M+Na-2H]-	342.122406	178.2
[M]+	321.14719142	180.3
[M]-	321.14828858	180.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.