CID 482391

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

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C=CC[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/m1/s1
InChIKey
UBEULTXFXCQWQL-QZTJIDSGSA-N
Compound name
(2R,3R)-2-benzyl-4-oxo-3-prop-2-enyl-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.2
[M+Na]+ 358.15262 186.7
[M-H]- 334.15612 188.1
[M+NH4]+ 353.19722 186.1
[M+K]+ 374.12656 184.4
[M+H-H2O]+ 318.16066 165.7
[M+HCOO]- 380.16160 200.8
[M+CH3COO]- 394.17725 215.6
[M+Na-2H]- 356.13807 183.5
[M]+ 335.16285 190.1
[M]- 335.16395 190.1
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.