CID 41230

54903-20-7

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1=CC=C(C=C1)CC(C2=CC3=C(C=C2)NC(=O)O3)O
InChI
InChI=1S/C15H13NO3/c17-13(8-10-4-2-1-3-5-10)11-6-7-12-14(9-11)19-15(18)16-12/h1-7,9,13,17H,8H2,(H,16,18)
InChIKey
SSBIJZOALSHAIT-UHFFFAOYSA-N
Compound name
6-(1-hydroxy-2-phenylethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 154.4
[M+Na]+ 278.07876 163.9
[M-H]- 254.08226 159.7
[M+NH4]+ 273.12336 170.1
[M+K]+ 294.05270 159.7
[M+H-H2O]+ 238.08680 147.4
[M+HCOO]- 300.08774 175.1
[M+CH3COO]- 314.10339 167.0
[M+Na-2H]- 276.06421 160.5
[M]+ 255.08899 156.1
[M]- 255.09009 156.1
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.