CID 473065

Chembl274454

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CCCCC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCCCC3
InChI
InChI=1S/C19H26N2O3/c1-2-3-7-17(22)15-8-9-16-18(14-15)24-19(23)21(16)13-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
InChIKey
KAHIERBENQDXOI-UHFFFAOYSA-N
Compound name
6-pentanoyl-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 179.9
[M+Na]+ 353.18356 186.3
[M-H]- 329.18706 184.7
[M+NH4]+ 348.22816 192.3
[M+K]+ 369.15750 182.7
[M+H-H2O]+ 313.19160 170.6
[M+HCOO]- 375.19254 196.5
[M+CH3COO]- 389.20819 209.6
[M+Na-2H]- 351.16901 180.6
[M]+ 330.19379 182.2
[M]- 330.19489 182.2
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.