CID 39944

Brn 0560113

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(=O)C)C(=O)O
InChI
InChI=1S/C18H15NO4/c1-10(18(21)22)14-7-8-16-15(9-14)19-17(23-16)13-5-3-12(4-6-13)11(2)20/h3-10H,1-2H3,(H,21,22)
InChIKey
RINYHQOSGRLIMH-UHFFFAOYSA-N
Compound name
2-[2-(4-acetylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.2
[M+Na]+ 332.08932 183.0
[M+NH4]+ 327.13392 175.7
[M+K]+ 348.06326 179.8
[M-H]- 308.09282 172.7
[M+Na-2H]- 330.07477 175.0
[M]+ 309.09955 172.1
[M]- 309.10065 172.1
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