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 167.5
[M+Na]+ 316.09442 181.8
[M+NH4]+ 311.13902 174.9
[M+K]+ 332.06836 177.5
[M-H]- 292.09792 173.4
[M+Na-2H]- 314.07987 176.3
[M]+ 293.10465 171.2
[M]- 293.10575 171.2
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.