CID 3061213

Brn 4502722

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H15NO3/c1-12(18(20)21)13-7-9-14(10-8-13)16-11-17(22-19-16)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)
InChIKey
GULYBHMZVBSTKE-UHFFFAOYSA-N
Compound name
2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 167.1
[M+Na]+ 316.09442 174.2
[M-H]- 292.09792 175.4
[M+NH4]+ 311.13902 180.3
[M+K]+ 332.06836 171.1
[M+H-H2O]+ 276.10246 158.7
[M+HCOO]- 338.10340 187.4
[M+CH3COO]- 352.11905 178.7
[M+Na-2H]- 314.07987 169.2
[M]+ 293.10465 168.2
[M]- 293.10575 168.2
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

No patent data available for this compound.