CID 3022237

2(3h)-benzoxazolone, 6-(2-phenylethyl)-

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC=C(C=C1)CCC2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C15H13NO2/c17-15-16-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKey
MREYPXMSPAQAOZ-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 150.7
[M+Na]+ 262.08386 161.1
[M-H]- 238.08736 157.1
[M+NH4]+ 257.12846 168.0
[M+K]+ 278.05780 156.6
[M+H-H2O]+ 222.09190 143.4
[M+HCOO]- 284.09284 173.7
[M+CH3COO]- 298.10849 164.2
[M+Na-2H]- 260.06931 158.3
[M]+ 239.09409 153.3
[M]- 239.09519 153.3
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

patents stripe