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]+ 296.13936 168.4
[M+Na]+ 318.12130 173.1
[M-H]- 294.12480 174.5
[M+NH4]+ 313.16590 173.7
[M+K]+ 334.09524 172.0
[M+H-H2O]+ 278.12934 152.3
[M+HCOO]- 340.13028 187.9
[M+CH3COO]- 354.14593 206.5
[M+Na-2H]- 316.10675 172.1
[M]+ 295.13153 175.7
[M]- 295.13263 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.