CID 5271226

105639-07-4

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCC1=C(C=CC(=C1)C2=NCCO2)OCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C20H26N2O3/c1-3-16-14-17(20-21-10-12-24-20)8-9-19(16)23-11-6-4-5-7-18-13-15(2)22-25-18/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKey
SKLOXEUEOSDDIB-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethylphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 183.1
[M+Na]+ 365.18356 189.8
[M-H]- 341.18706 191.3
[M+NH4]+ 360.22816 194.6
[M+K]+ 381.15750 187.9
[M+H-H2O]+ 325.19160 174.2
[M+HCOO]- 387.19254 202.9
[M+CH3COO]- 401.20819 211.0
[M+Na-2H]- 363.16901 182.7
[M]+ 342.19379 189.4
[M]- 342.19489 189.4
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