CID 482411

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

Structural Information

Molecular Formula
C20H19F3N2O3S
SMILES
CN(CC1=CC=C(C=C1)S(=O)C(F)(F)F)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H19F3N2O3S/c1-24(13-15-7-9-17(10-8-15)29(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-,29?/m1/s1
InChIKey
CVMXFRQGRMMRMB-VSMAWVSWSA-N
Compound name
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfinyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.10684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11412 197.1
[M+Na]+ 447.09606 200.6
[M-H]- 423.09956 201.5
[M+NH4]+ 442.14066 199.3
[M+K]+ 463.07000 199.6
[M+H-H2O]+ 407.10410 178.4
[M+HCOO]- 469.10504 206.6
[M+CH3COO]- 483.12069 229.9
[M+Na-2H]- 445.08151 193.3
[M]+ 424.10629 204.7
[M]- 424.10739 204.7
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.