CID 5273082

Chembl133990

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(=O)C1=CC=C(O1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C20H23NO4/c1-15(22)19-11-10-18(25-19)5-3-2-4-13-23-17-8-6-16(7-9-17)20-21-12-14-24-20/h6-11H,2-5,12-14H2,1H3
InChIKey
DVMXZMVBNUPILZ-UHFFFAOYSA-N
Compound name
1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

341.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.7
[M+Na]+ 364.15194 187.3
[M-H]- 340.15544 191.1
[M+NH4]+ 359.19654 194.1
[M+K]+ 380.12588 186.2
[M+H-H2O]+ 324.15998 173.7
[M+HCOO]- 386.16092 202.3
[M+CH3COO]- 400.17657 209.4
[M+Na-2H]- 362.13739 181.3
[M]+ 341.16217 187.2
[M]- 341.16327 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe