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

24
Patents

309.1001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 170.2
[M+Na]+ 332.089318 177.8
[M-H]- 308.092824 177.4
[M+NH4]+ 327.133923 182.2
[M+K]+ 348.063258 174.0
[M+H-H2O]+ 292.097360 161.8
[M+HCOO]- 354.098301 190.1
[M+CH3COO]- 368.113951 199.5
[M+Na-2H]- 330.074766 172.4
[M]+ 309.09955142 171.8
[M]- 309.10064858 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