CID 482390

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

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2/c1-2-16-17(12-14-6-4-3-5-7-14)22(18(16)23)19(24)21-13-15-8-10-20-11-9-15/h3-11,16-17H,2,12-13H2,1H3,(H,21,24)/t16-,17-/m1/s1
InChIKey
CMVUTFNKCAIDRF-IAGOWNOFSA-N
Compound name
(2R,3R)-2-benzyl-3-ethyl-4-oxo-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.170676 178.5
[M+Na]+ 346.152618 183.2
[M-H]- 322.156124 184.6
[M+NH4]+ 341.197223 183.0
[M+K]+ 362.126558 181.7
[M+H-H2O]+ 306.160660 162.2
[M+HCOO]- 368.161601 197.2
[M+CH3COO]- 382.177251 213.5
[M+Na-2H]- 344.138066 180.3
[M]+ 323.16285142 186.8
[M]- 323.16394858 186.8
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.