CID 5271174

Chembl166277

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCC1=C(C(=NO1)CC)CCCCCCOC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H29NO3/c1-4-19-18(20(5-2)24-21-19)10-8-6-7-9-15-23-17-13-11-16(22-3)12-14-17/h11-14H,4-10,15H2,1-3H3
InChIKey
BXGAYMPDXZOXKS-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-[6-(4-methoxyphenoxy)hexyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.21475 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 183.0
[M+Na]+ 354.20397 189.5
[M-H]- 330.20747 188.5
[M+NH4]+ 349.24857 196.4
[M+K]+ 370.17791 186.9
[M+H-H2O]+ 314.21201 174.3
[M+HCOO]- 376.21295 204.5
[M+CH3COO]- 390.22860 211.9
[M+Na-2H]- 352.18942 183.8
[M]+ 331.21420 191.5
[M]- 331.21530 191.5
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.