CID 3022238

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

Structural Information

Molecular Formula
C16H15NO2
SMILES
CN1C2=C(C=C(C=C2)CCC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C16H15NO2/c1-17-14-10-9-13(11-15(14)19-16(17)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChIKey
BGFVGUOWMSOQCX-UHFFFAOYSA-N
Compound name
3-methyl-6-(2-phenylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 155.3
[M+Na]+ 276.09950 166.7
[M-H]- 252.10300 163.4
[M+NH4]+ 271.14410 173.1
[M+K]+ 292.07344 162.9
[M+H-H2O]+ 236.10754 147.8
[M+HCOO]- 298.10848 179.5
[M+CH3COO]- 312.12413 169.4
[M+Na-2H]- 274.08495 162.1
[M]+ 253.10973 160.6
[M]- 253.11083 160.6
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.