CID 3062294

Brn 4584626

Structural Information

Molecular Formula
C21H21NO6
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H21NO6/c1-4-27-21-19(15-9-10-16(25-2)17(12-15)26-3)22-20(28-21)14-7-5-13(6-8-14)11-18(23)24/h5-10,12H,4,11H2,1-3H3,(H,23,24)
InChIKey
LGFFEXTXJIESOO-UHFFFAOYSA-N
Compound name
2-[4-[4-(3,4-dimethoxyphenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 189.1
[M+Na]+ 406.12612 197.0
[M-H]- 382.12962 197.8
[M+NH4]+ 401.17072 199.1
[M+K]+ 422.10006 195.1
[M+H-H2O]+ 366.13416 179.8
[M+HCOO]- 428.13510 209.6
[M+CH3COO]- 442.15075 217.6
[M+Na-2H]- 404.11157 189.0
[M]+ 383.13635 197.1
[M]- 383.13745 197.1
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.