CID 12913555

5-[2-(benzyloxy)phenyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NN=C(O3)N

InChI

InChI=1S/C15H13N3O2/c16-15-18-17-14(20-15)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18)

InChIKey

RLRPFJUFJIGUIS-UHFFFAOYSA-N

Compound name

5-(2-phenylmethoxyphenyl)-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.10077 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]+	268.108046	158.8
[M+Na]+	290.089988	167.2
[M-H]-	266.093494	166.6
[M+NH4]+	285.134593	172.0
[M+K]+	306.063928	163.8
[M+H-H2O]+	250.098030	149.0
[M+HCOO]-	312.098971	182.2
[M+CH3COO]-	326.114621	171.0
[M+Na-2H]-	288.075436	164.7
[M]+	267.10022142	159.9
[M]-	267.10131858	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.