CID 3062289

80589-72-6

Structural Information

Molecular Formula
C19H17NO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO4/c1-2-23-19-17(14-6-4-3-5-7-14)20-18(24-19)15-10-8-13(9-11-15)12-16(21)22/h3-11H,2,12H2,1H3,(H,21,22)
InChIKey
SNNLNADLFDJTGC-UHFFFAOYSA-N
Compound name
2-[4-(5-ethoxy-4-phenyl-1,3-oxazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 174.6
[M+Na]+ 346.104968 182.2
[M-H]- 322.108474 183.0
[M+NH4]+ 341.149573 186.8
[M+K]+ 362.078908 179.1
[M+H-H2O]+ 306.113010 165.8
[M+HCOO]- 368.113951 195.6
[M+CH3COO]- 382.129601 204.8
[M+Na-2H]- 344.090416 176.7
[M]+ 323.11520142 178.3
[M]- 323.11629858 178.3
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.