CID 3061209

Brn 4484122

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C17H13NO3/c19-17(20)10-12-6-8-13(9-7-12)15-11-16(21-18-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20)
InChIKey
RJJMUXRJFCPHJL-UHFFFAOYSA-N
Compound name
2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 163.4
[M+Na]+ 302.07876 178.3
[M+NH4]+ 297.12336 171.1
[M+K]+ 318.05270 173.3
[M-H]- 278.08226 169.5
[M+Na-2H]- 300.06421 172.8
[M]+ 279.08899 167.3
[M]- 279.09009 167.3
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.