CID 166405

Dtxsid70888372

Structural Information

Molecular Formula

C₂₃H₂₀N₄O₃

SMILES

CC1=C(C(=O)NC(=C1C#N)O)N=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H20N4O3/c1-13(2)15-4-6-16(7-5-15)21(28)17-8-10-18(11-9-17)26-27-20-14(3)19(12-24)22(29)25-23(20)30/h4-11,13H,1-3H3,(H2,25,29,30)

InChIKey

RWKZJPHHITZEIU-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methyl-6-oxo-5-[[4-(4-propan-2-ylbenzoyl)phenyl]diazenyl]-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 400.15353 Da
Monoisotopic Mass: 4.4
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]+	401.160806	204.5
[M+Na]+	423.142748	213.5
[M-H]-	399.146254	210.8
[M+NH4]+	418.187353	211.8
[M+K]+	439.116688	206.9
[M+H-H2O]+	383.150790	187.4
[M+HCOO]-	445.151731	222.3
[M+CH3COO]-	459.167381	238.3
[M+Na-2H]-	421.128196	203.1
[M]+	400.15298142	200.1
[M]-	400.15407858	200.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.