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]+ 254.117556 155.3
[M+Na]+ 276.099498 166.7
[M-H]- 252.103004 163.4
[M+NH4]+ 271.144103 173.1
[M+K]+ 292.073438 162.9
[M+H-H2O]+ 236.107540 147.8
[M+HCOO]- 298.108481 179.5
[M+CH3COO]- 312.124131 169.4
[M+Na-2H]- 274.084946 162.1
[M]+ 253.10973142 160.6
[M]- 253.11082858 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.