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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.