CID 135429406

3,5-dimethoxy-2-[5-(3-methyl-2-pyridyl)-1,2,4-oxadiazol-3-yl]phenol

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₄

SMILES

CC1=C(N=CC=C1)C2=NC(=NO2)C3=C(C=C(C=C3OC)OC)O

InChI

InChI=1S/C16H15N3O4/c1-9-5-4-6-17-14(9)16-18-15(19-23-16)13-11(20)7-10(21-2)8-12(13)22-3/h4-8,20H,1-3H3

InChIKey

MPBYWTIYPVZYFR-UHFFFAOYSA-N

Compound name

3,5-dimethoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.10626 Da
Monoisotopic Mass: 2.4
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]+	314.113536	171.3
[M+Na]+	336.095478	182.1
[M-H]-	312.098984	178.1
[M+NH4]+	331.140083	181.9
[M+K]+	352.069418	179.1
[M+H-H2O]+	296.103520	161.4
[M+HCOO]-	358.104461	191.4
[M+CH3COO]-	372.120111	203.8
[M+Na-2H]-	334.080926	174.3
[M]+	313.10571142	177.1
[M]-	313.10680858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.