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]+ 331.201616 179.5
[M+Na]+ 353.183558 179.0
[M-H]- 329.187064 184.1
[M+NH4]+ 348.228163 183.4
[M+K]+ 369.157498 178.9
[M+H-H2O]+ 313.191600 164.1
[M+HCOO]- 375.192541 193.0
[M+CH3COO]- 389.208191 212.1
[M+Na-2H]- 351.169006 177.6
[M]+ 330.19379142 181.8
[M]- 330.19488858 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.