CID 3062293

Brn 4572001

Structural Information

Molecular Formula
C20H19NO5
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19NO5/c1-3-25-20-18(14-8-10-16(24-2)11-9-14)21-19(26-20)15-6-4-13(5-7-15)12-17(22)23/h4-11H,3,12H2,1-2H3,(H,22,23)
InChIKey
WJVFCBOVCZSQDB-UHFFFAOYSA-N
Compound name
2-[4-[5-ethoxy-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 181.9
[M+Na]+ 376.11552 189.7
[M-H]- 352.11902 190.5
[M+NH4]+ 371.16012 193.0
[M+K]+ 392.08946 187.2
[M+H-H2O]+ 336.12356 172.9
[M+HCOO]- 398.12450 202.8
[M+CH3COO]- 412.14015 211.2
[M+Na-2H]- 374.10097 182.9
[M]+ 353.12575 187.8
[M]- 353.12685 187.8
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.