CID 5271176

Chembl165011

Structural Information

Molecular Formula
C23H33NO4
SMILES
CCC1=C(C(=NO1)CC)CCCCCCCOC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C23H33NO4/c1-4-21-20(22(5-2)28-24-21)12-10-8-7-9-11-17-27-19-15-13-18(14-16-19)23(25)26-6-3/h13-16H,4-12,17H2,1-3H3
InChIKey
OFIRKVDORLHGLK-UHFFFAOYSA-N
Compound name
ethyl 4-[7-(3,5-diethyl-1,2-oxazol-4-yl)heptoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.24097 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24825 199.2
[M+Na]+ 410.23019 204.3
[M-H]- 386.23369 204.3
[M+NH4]+ 405.27479 210.1
[M+K]+ 426.20413 201.5
[M+H-H2O]+ 370.23823 190.0
[M+HCOO]- 432.23917 219.0
[M+CH3COO]- 446.25482 222.2
[M+Na-2H]- 408.21564 197.4
[M]+ 387.24042 208.8
[M]- 387.24152 208.8
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

No patent data available for this compound.