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 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

No literature data available for this compound.

Patent stripe

patents stripe