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

5
Patents

269.06882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.2
[M+Na]+ 292.05804 167.1
[M-H]- 268.06154 163.3
[M+NH4]+ 287.10264 172.2
[M+K]+ 308.03198 163.9
[M+H-H2O]+ 252.06608 149.0
[M+HCOO]- 314.06702 178.7
[M+CH3COO]- 328.08267 169.7
[M+Na-2H]- 290.04349 162.1
[M]+ 269.06827 160.8
[M]- 269.06937 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