CID 11381304

5-(4-hydroxyphenyl)-4-phenyl-2-oxazolepropanoic acid

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO4/c20-14-8-6-13(7-9-14)18-17(12-4-2-1-3-5-12)19-15(23-18)10-11-16(21)22/h1-9,20H,10-11H2,(H,21,22)
InChIKey
YAISBCRKKPIEOS-UHFFFAOYSA-N
Compound name
3-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

309.1001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 171.7
[M+Na]+ 332.08932 185.7
[M+NH4]+ 327.13392 178.2
[M+K]+ 348.06326 181.5
[M-H]- 308.09282 176.8
[M+Na-2H]- 330.07477 179.4
[M]+ 309.09955 175.1
[M]- 309.10065 175.1
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