CID 5278765

Chembl371078

Structural Information

Molecular Formula
C19H26N2O3
SMILES
C1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)N3CC(C3=O)O
InChI
InChI=1S/C19H26N2O3/c22-17-13-21(19(17)24)16(11-14-7-3-1-4-8-14)18(23)20-12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,22H,2,5-6,9-13H2,(H,20,23)
InChIKey
LTTFKKJPBMQTTF-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-2-(3-hydroxy-2-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.19434 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 179.5
[M+Na]+ 353.18356 179.0
[M-H]- 329.18706 184.1
[M+NH4]+ 348.22816 183.4
[M+K]+ 369.15750 178.9
[M+H-H2O]+ 313.19160 164.1
[M+HCOO]- 375.19254 193.0
[M+CH3COO]- 389.20819 212.1
[M+Na-2H]- 351.16901 177.6
[M]+ 330.19379 181.8
[M]- 330.19489 181.8
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.