CID 135755729

Brn 0616709

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

CCN(CC)CCC1=NC(=NO1)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-5-7-12(18)8-6-11/h5-8,18H,3-4,9-10H2,1-2H3

InChIKey

BUSRSWRLJGDITE-UHFFFAOYSA-N

Compound name

4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 2.5
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]+	262.155016	161.3
[M+Na]+	284.136958	168.5
[M-H]-	260.140464	166.2
[M+NH4]+	279.181563	175.6
[M+K]+	300.110898	166.9
[M+H-H2O]+	244.145000	152.3
[M+HCOO]-	306.145941	183.4
[M+CH3COO]-	320.161591	199.3
[M+Na-2H]-	282.122406	165.3
[M]+	261.14719142	165.1
[M]-	261.14828858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.