CID 487703

(2s,3s)-2-benzyl-3-methyl-4-oxo-n-[1-(4-pyridyl)propyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCC(C1=CC=NC=C1)NC(=O)N2[C@H]([C@@H](C2=O)C)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2/c1-3-17(16-9-11-21-12-10-16)22-20(25)23-18(14(2)19(23)24)13-15-7-5-4-6-8-15/h4-12,14,17-18H,3,13H2,1-2H3,(H,22,25)/t14-,17?,18-/m0/s1
InChIKey
VBLSZWOYAPIJSL-HRWMIKOJSA-N
Compound name
(2S,3S)-2-benzyl-3-methyl-4-oxo-N-(1-pyridin-4-ylpropyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 184.5
[M+Na]+ 360.16824 188.3
[M-H]- 336.17174 190.5
[M+NH4]+ 355.21284 188.2
[M+K]+ 376.14218 187.2
[M+H-H2O]+ 320.17628 168.0
[M+HCOO]- 382.17722 201.8
[M+CH3COO]- 396.19287 217.2
[M+Na-2H]- 358.15369 184.5
[M]+ 337.17847 192.5
[M]- 337.17957 192.5
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.