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

3
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.081176 152.9
[M+Na]+ 276.063118 164.4
[M-H]- 252.066624 161.3
[M+NH4]+ 271.107723 170.3
[M+K]+ 292.037058 161.4
[M+H-H2O]+ 236.071160 145.6
[M+HCOO]- 298.072101 176.7
[M+CH3COO]- 312.087751 167.2
[M+Na-2H]- 274.048566 159.1
[M]+ 253.07335142 157.9
[M]- 253.07444858 157.9
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