CID 482412

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

Structural Information

Molecular Formula
C20H19F3N2O4S
SMILES
CN(CC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H19F3N2O4S/c1-24(13-15-7-9-17(10-8-15)30(28,29)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
SOKYORDDVNWLNW-MRXNPFEDSA-N
Compound name
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.10178 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10906 199.4
[M+Na]+ 463.09100 203.3
[M-H]- 439.09450 203.9
[M+NH4]+ 458.13560 200.9
[M+K]+ 479.06494 202.5
[M+H-H2O]+ 423.09904 180.9
[M+HCOO]- 485.09998 208.6
[M+CH3COO]- 499.11563 230.8
[M+Na-2H]- 461.07645 198.0
[M]+ 440.10123 207.5
[M]- 440.10233 207.5
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.