CID 6446137

2(3h)-benzoxazolone, 6-(3-(2-methoxyphenyl)-1-oxo-2-propenyl)-

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C17H13NO4/c1-21-15-5-3-2-4-11(15)7-9-14(19)12-6-8-13-16(10-12)22-17(20)18-13/h2-10H,1H3,(H,18,20)/b9-7+
InChIKey
BXCARJZISZNDGV-VQHVLOKHSA-N
Compound name
6-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.0
[M+Na]+ 318.073688 175.3
[M-H]- 294.077194 171.7
[M+NH4]+ 313.118293 179.8
[M+K]+ 334.047628 171.1
[M+H-H2O]+ 278.081730 157.4
[M+HCOO]- 340.082671 186.9
[M+CH3COO]- 354.098321 198.3
[M+Na-2H]- 316.059136 169.7
[M]+ 295.08392142 169.4
[M]- 295.08501858 169.4
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

No patent data available for this compound.