CID 665654

Ml236

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC

InChI

InChI=1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20)

InChIKey

NOGDJCUSTNXIOS-UHFFFAOYSA-N

Compound name

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 287.1634 Da
Monoisotopic Mass: 3.0
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]+	288.170676	170.2
[M+Na]+	310.152618	177.4
[M-H]-	286.156124	175.3
[M+NH4]+	305.197223	183.7
[M+K]+	326.126558	175.3
[M+H-H2O]+	270.160660	161.8
[M+HCOO]-	332.161601	190.2
[M+CH3COO]-	346.177251	203.6
[M+Na-2H]-	308.138066	174.1
[M]+	287.16285142	173.3
[M]-	287.16394858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.