CID 13306085

93771-21-2

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]+ 240.101916 150.5
[M+Na]+ 262.083858 162.3
[M-H]- 238.087364 158.8
[M+NH4]+ 257.128463 168.8
[M+K]+ 278.057798 158.8
[M+H-H2O]+ 222.091900 143.2
[M+HCOO]- 284.092841 175.0
[M+CH3COO]- 298.108491 165.1
[M+Na-2H]- 260.069306 157.8
[M]+ 239.09409142 155.4
[M]- 239.09518858 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.