CID 482293

(3s,4r)-3-methyl-2-oxo-n-[(1r)-1-phenylpropyl]-4-(2-pyridylmethylsulfanyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H]([C@H](C2=O)C)SCC3=CC=CC=N3
InChI
InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17+,19+/m0/s1
InChIKey
YJXLFWWMHXAZHE-POZUXBRTSA-N
Compound name
(3S,4R)-3-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyridin-2-ylmethylsulfanyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1511 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 187.8
[M+Na]+ 392.14032 191.0
[M-H]- 368.14382 193.4
[M+NH4]+ 387.18492 190.6
[M+K]+ 408.11426 189.1
[M+H-H2O]+ 352.14836 171.0
[M+HCOO]- 414.14930 200.0
[M+CH3COO]- 428.16495 220.5
[M+Na-2H]- 390.12577 185.5
[M]+ 369.15055 197.7
[M]- 369.15165 197.7
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.