CID 3051957

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

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1=CC=C(C=C1)C2=C(N=C(O2)CCC(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO4/c20-14-8-6-12(7-9-14)17-18(13-4-2-1-3-5-13)23-15(19-17)10-11-16(21)22/h1-9,20H,10-11H2,(H,21,22)
InChIKey
QNYSAXQEGRPPGZ-UHFFFAOYSA-N
Compound name
3-[4-(4-hydroxyphenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
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 170.2
[M+Na]+ 332.08932 177.8
[M-H]- 308.09282 177.4
[M+NH4]+ 327.13392 182.2
[M+K]+ 348.06326 174.0
[M+H-H2O]+ 292.09736 161.8
[M+HCOO]- 354.09830 190.1
[M+CH3COO]- 368.11395 199.5
[M+Na-2H]- 330.07477 172.4
[M]+ 309.09955 171.8
[M]- 309.10065 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe