CID 3021367

88938-35-6

Structural Information

Molecular Formula

C₂₅H₂₄N₄O₆

SMILES

CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC=C(C=C2)C(=O)OCCOCCOC3=CC=CC=C3

InChI

InChI=1S/C25H24N4O6/c1-17-21(16-26)23(30)29(2)24(31)22(17)28-27-19-10-8-18(9-11-19)25(32)35-15-13-33-12-14-34-20-6-4-3-5-7-20/h3-11,30H,12-15H2,1-2H3

InChIKey

GLZGZNTWCKYLQF-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxy)ethyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 476.1696 Da
Monoisotopic Mass: 3.5
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]+	477.176876	215.2
[M+Na]+	499.158818	223.2
[M-H]-	475.162324	222.1
[M+NH4]+	494.203423	219.9
[M+K]+	515.132758	218.8
[M+H-H2O]+	459.166860	196.4
[M+HCOO]-	521.167801	235.0
[M+CH3COO]-	535.183451	250.0
[M+Na-2H]-	497.144266	215.1
[M]+	476.16905142	216.9
[M]-	476.17014858	216.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.