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]+ 324.17068 178.5
[M+Na]+ 346.15262 183.2
[M-H]- 322.15612 184.6
[M+NH4]+ 341.19722 183.0
[M+K]+ 362.12656 181.7
[M+H-H2O]+ 306.16066 162.2
[M+HCOO]- 368.16160 197.2
[M+CH3COO]- 382.17725 213.5
[M+Na-2H]- 344.13807 180.3
[M]+ 323.16285 186.8
[M]- 323.16395 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.