CID 27453

Embutramide

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCC(CC)(CNC(=O)CCCO)C1=CC(=CC=C1)OC
InChI
InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)
InChIKey
LMBMDLOSPKIWAP-UHFFFAOYSA-N
Compound name
N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

633
Patents

293.1991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 173.5
[M+Na]+ 316.18832 177.4
[M-H]- 292.19182 174.8
[M+NH4]+ 311.23292 188.1
[M+K]+ 332.16226 174.6
[M+H-H2O]+ 276.19636 166.6
[M+HCOO]- 338.19730 193.2
[M+CH3COO]- 352.21295 204.7
[M+Na-2H]- 314.17377 176.1
[M]+ 293.19855 176.4
[M]- 293.19965 176.4
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