CID 3062288

Brn 4524832

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO4/c1-22-18-16(13-5-3-2-4-6-13)19-17(23-18)14-9-7-12(8-10-14)11-15(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKey
DCECOIFSMDXCPX-UHFFFAOYSA-N
Compound name
2-[4-(5-methoxy-4-phenyl-1,3-oxazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.0
[M+Na]+ 332.08932 178.0
[M-H]- 308.09282 178.5
[M+NH4]+ 327.13392 182.7
[M+K]+ 348.06326 175.1
[M+H-H2O]+ 292.09736 161.3
[M+HCOO]- 354.09830 191.4
[M+CH3COO]- 368.11395 201.8
[M+Na-2H]- 330.07477 172.6
[M]+ 309.09955 173.4
[M]- 309.10065 173.4
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.