CID 46401

2-phenyl-beta-methyl-5-benzoxazoleethanol hydrate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.5
[M+Na]+ 276.09950 165.8
[M-H]- 252.10300 162.9
[M+NH4]+ 271.14410 173.1
[M+K]+ 292.07344 162.2
[M+H-H2O]+ 236.10754 149.1
[M+HCOO]- 298.10848 177.9
[M+CH3COO]- 312.12413 169.4
[M+Na-2H]- 274.08495 162.4
[M]+ 253.10973 159.6
[M]- 253.11083 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.