CID 13306085

6-benzyl-3-methyl-2-benzoxazolinone

Structural Information

Molecular Formula
C15H13NO2
SMILES
CN1C2=C(C=C(C=C2)CC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C15H13NO2/c1-16-13-8-7-12(10-14(13)18-15(16)17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKey
DTSTVNUKPVCSDG-UHFFFAOYSA-N
Compound name
6-benzyl-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 150.5
[M+Na]+ 262.08386 162.3
[M-H]- 238.08736 158.8
[M+NH4]+ 257.12846 168.8
[M+K]+ 278.05780 158.8
[M+H-H2O]+ 222.09190 143.2
[M+HCOO]- 284.09284 175.0
[M+CH3COO]- 298.10849 165.1
[M+Na-2H]- 260.06931 157.8
[M]+ 239.09409 155.4
[M]- 239.09519 155.4
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.