CID 482410

(2r)-2-benzyl-n-methyl-4-oxo-n-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H19F3N2O2S
SMILES
CN(CC1=CC=C(C=C1)SC(F)(F)F)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H19F3N2O2S/c1-24(13-15-7-9-17(10-8-15)28-20(21,22)23)19(27)25-16(12-18(25)26)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKey
RVUNQBYRZIFONQ-MRXNPFEDSA-N
Compound name
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.11194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11922 193.7
[M+Na]+ 431.10116 197.8
[M-H]- 407.10466 198.1
[M+NH4]+ 426.14576 196.9
[M+K]+ 447.07510 196.0
[M+H-H2O]+ 391.10920 175.1
[M+HCOO]- 453.11014 203.9
[M+CH3COO]- 467.12579 227.7
[M+Na-2H]- 429.08661 190.8
[M]+ 408.11139 201.3
[M]- 408.11249 201.3
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.