CID 46401

64037-27-0

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3

InChI

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

InChIKey

OIWBFLDNVUDCJZ-UHFFFAOYSA-N

Compound name

2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	254.117556	156.5
[M+Na]+	276.099498	165.8
[M-H]-	252.103004	162.9
[M+NH4]+	271.144103	173.1
[M+K]+	292.073438	162.2
[M+H-H2O]+	236.107540	149.1
[M+HCOO]-	298.108481	177.9
[M+CH3COO]-	312.124131	169.4
[M+Na-2H]-	274.084946	162.4
[M]+	253.10973142	159.6
[M]-	253.11082858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.