CID 482392

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

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CO[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O3/c1-24-16-15(11-13-5-3-2-4-6-13)21(17(16)22)18(23)20-12-14-7-9-19-10-8-14/h2-10,15-16H,11-12H2,1H3,(H,20,23)/t15-,16-/m1/s1
InChIKey
MPJKKWKZCQFDKW-HZPDHXFCSA-N
Compound name
(2R,3R)-2-benzyl-3-methoxy-4-oxo-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 176.3
[M+Na]+ 348.13186 181.1
[M-H]- 324.13536 182.5
[M+NH4]+ 343.17646 180.5
[M+K]+ 364.10580 180.5
[M+H-H2O]+ 308.13990 159.9
[M+HCOO]- 370.14084 195.5
[M+CH3COO]- 384.15649 212.7
[M+Na-2H]- 346.11731 178.7
[M]+ 325.14209 185.6
[M]- 325.14319 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.