CID 5273101

Chembl283762

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C20H26N2O3/c1-2-6-17-15-19(25-22-17)7-4-3-5-13-23-18-10-8-16(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKey
YVZIEOVVTJKRKN-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 182.5
[M+Na]+ 365.18356 188.3
[M-H]- 341.18706 190.3
[M+NH4]+ 360.22816 193.7
[M+K]+ 381.15750 186.5
[M+H-H2O]+ 325.19160 173.3
[M+HCOO]- 387.19254 202.4
[M+CH3COO]- 401.20819 209.8
[M+Na-2H]- 363.16901 182.8
[M]+ 342.19379 188.3
[M]- 342.19489 188.3
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.