CID 3002877

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

Structural Information

Molecular Formula
C18H19N3O2
SMILES
C[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-13-16(11-14-5-3-2-4-6-14)21(17(13)22)18(23)20-12-15-7-9-19-10-8-15/h2-10,13,16H,11-12H2,1H3,(H,20,23)/t13-,16+/m0/s1
InChIKey
ZGESLRBWQWRGEC-XJKSGUPXSA-N
Compound name
(2R,3S)-2-benzyl-3-methyl-4-oxo-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 174.0
[M+Na]+ 332.13696 179.1
[M-H]- 308.14046 180.3
[M+NH4]+ 327.18156 179.0
[M+K]+ 348.11090 177.8
[M+H-H2O]+ 292.14500 157.9
[M+HCOO]- 354.14594 193.0
[M+CH3COO]- 368.16159 210.6
[M+Na-2H]- 330.12241 176.3
[M]+ 309.14719 182.0
[M]- 309.14829 182.0
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.