CID 16217935

6-benzyloxy-2-benzoxazolinone

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H11NO3/c16-14-15-12-7-6-11(8-13(12)18-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChIKey
JVUPJESJQYCFOB-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

241.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 148.9
[M+Na]+ 264.06312 159.6
[M-H]- 240.06662 155.6
[M+NH4]+ 259.10772 166.0
[M+K]+ 280.03706 156.1
[M+H-H2O]+ 224.07116 141.7
[M+HCOO]- 286.07210 172.5
[M+CH3COO]- 300.08775 162.8
[M+Na-2H]- 262.04857 157.2
[M]+ 241.07335 152.7
[M]- 241.07445 152.7
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

patents stripe