CID 482386

(2r)-2-benzyl-4-oxo-n-(3-pyridylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1[C@H](N(C1=O)C(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2/c21-16-10-15(9-13-5-2-1-3-6-13)20(16)17(22)19-12-14-7-4-8-18-11-14/h1-8,11,15H,9-10,12H2,(H,19,22)/t15-/m1/s1
InChIKey
FIHRIXHVRQLRST-OAHLLOKOSA-N
Compound name
(2R)-2-benzyl-4-oxo-N-(pyridin-3-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 168.4
[M+Na]+ 318.121298 173.1
[M-H]- 294.124804 174.5
[M+NH4]+ 313.165903 173.7
[M+K]+ 334.095238 172.0
[M+H-H2O]+ 278.129340 152.3
[M+HCOO]- 340.130281 187.9
[M+CH3COO]- 354.145931 206.5
[M+Na-2H]- 316.106746 172.1
[M]+ 295.13153142 175.7
[M]- 295.13262858 175.7
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.