CID 39949

51234-54-9

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CC(CO)C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C16H15NO2/c1-11(10-18)13-7-8-14-15(9-13)19-16(17-14)12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3

InChIKey

SQNDMDKKUAMDFF-UHFFFAOYSA-N

Compound name

2-(2-phenyl-1,3-benzoxazol-6-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 253.11028 Da
Monoisotopic Mass: 3.3
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]+	254.11756	156.3
[M+Na]+	276.09950	171.9
[M+NH4]+	271.14410	165.2
[M+K]+	292.07344	166.3
[M-H]-	252.10300	161.7
[M+Na-2H]-	274.08495	164.7
[M]+	253.10973	160.3
[M]-	253.11083	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe