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]+ 354.133576 181.9
[M+Na]+ 376.115518 189.7
[M-H]- 352.119024 190.5
[M+NH4]+ 371.160123 193.0
[M+K]+ 392.089458 187.2
[M+H-H2O]+ 336.123560 172.9
[M+HCOO]- 398.124501 202.8
[M+CH3COO]- 412.140151 211.2
[M+Na-2H]- 374.100966 182.9
[M]+ 353.12575142 187.8
[M]- 353.12684858 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.