CID 516149

Chembl110798

Structural Information

Molecular Formula

C₂₃H₃₃N₅O₅

SMILES

CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)COCOCCOC)C)C3=NN(N=N3)C

InChI

InChI=1S/C23H33N5O5/c1-17-12-19(23-24-27-28(3)25-23)13-18(2)22(17)32-9-7-5-6-8-21-14-20(26-33-21)15-31-16-30-11-10-29-4/h12-14H,5-11,15-16H2,1-4H3

InChIKey

FRCFJTBKJFRGPM-UHFFFAOYSA-N

Compound name

5-[5-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-(2-methoxyethoxymethoxymethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 459.24817 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]+	460.255446	209.7
[M+Na]+	482.237388	217.6
[M-H]-	458.240894	214.5
[M+NH4]+	477.281993	213.9
[M+K]+	498.211328	214.6
[M+H-H2O]+	442.245430	197.6
[M+HCOO]-	504.246371	228.2
[M+CH3COO]-	518.262021	233.3
[M+Na-2H]-	480.222836	207.4
[M]+	459.24762142	223.6
[M]-	459.24871858	223.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.