CID 10632949

6-benzyl-2-benzoxazolinone

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H11NO2/c16-14-15-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKey
SJUCTTNCWAPOTO-UHFFFAOYSA-N
Compound name
6-benzyl-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.07898 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 145.9
[M+Na]+ 248.06820 156.8
[M-H]- 224.07170 152.6
[M+NH4]+ 243.11280 163.8
[M+K]+ 264.04214 152.6
[M+H-H2O]+ 208.07624 138.9
[M+HCOO]- 270.07718 169.3
[M+CH3COO]- 284.09283 159.9
[M+Na-2H]- 246.05365 154.1
[M]+ 225.07843 148.3
[M]- 225.07953 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.