CID 657655

Jpb 3

Structural Information

Molecular Formula
C15H11NO3
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1=O
InChI
InChI=1S/C15H11NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
NOEMWSDYOPTWHP-UHFFFAOYSA-N
Compound name
6-benzoyl-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.8
[M+Na]+ 276.06312 169.1
[M+NH4]+ 271.10772 161.0
[M+K]+ 292.03706 164.0
[M-H]- 252.06662 157.8
[M+Na-2H]- 274.04857 161.1
[M]+ 253.07335 156.7
[M]- 253.07445 156.7
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

patents stripe