CID 6446137

Jpb 54

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]+ 296.09175 165.3
[M+Na]+ 318.07369 180.1
[M+NH4]+ 313.11829 171.9
[M+K]+ 334.04763 175.3
[M-H]- 294.07719 169.0
[M+Na-2H]- 316.05914 171.8
[M]+ 295.08392 168.3
[M]- 295.08502 168.3
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.