CID 482384

[(4r)-2-oxo-4-benzylazetidinyl]-n-cyclohexylcarboxamide

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1CCC(CC1)NC(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H22N2O2/c20-16-12-15(11-13-7-3-1-4-8-13)19(16)17(21)18-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,18,21)/t15-/m1/s1
InChIKey
DBXUQEWHZUKPMC-OAHLLOKOSA-N
Compound name
(2R)-2-benzyl-N-cyclohexyl-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 165.8
[M+Na]+ 309.15734 167.5
[M-H]- 285.16084 172.3
[M+NH4]+ 304.20194 172.6
[M+K]+ 325.13128 167.3
[M+H-H2O]+ 269.16538 150.8
[M+HCOO]- 331.16632 182.5
[M+CH3COO]- 345.18197 205.0
[M+Na-2H]- 307.14279 166.7
[M]+ 286.16757 168.6
[M]- 286.16867 168.6
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.