CID 3059536

2(3h)-benzoxazolone, 6-(4-methoxybenzoyl)-

Structural Information

Molecular Formula
C15H11NO4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C15H11NO4/c1-19-11-5-2-9(3-6-11)14(17)10-4-7-12-13(8-10)20-15(18)16-12/h2-8H,1H3,(H,16,18)
InChIKey
RRCJCKWWKNEKHF-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.06882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.076096 156.2
[M+Na]+ 292.058038 167.1
[M-H]- 268.061544 163.3
[M+NH4]+ 287.102643 172.2
[M+K]+ 308.031978 163.9
[M+H-H2O]+ 252.066080 149.0
[M+HCOO]- 314.067021 178.7
[M+CH3COO]- 328.082671 169.7
[M+Na-2H]- 290.043486 162.1
[M]+ 269.06827142 160.8
[M]- 269.06936858 160.8
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