CID 482284

Chembl286322

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCCC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
InChIKey
GBRXDJXBNYEGBU-NYRJJRHWSA-N
Compound name
2-oxo-N-[(1R)-1-phenylethyl]-4-(2-phenylethylsulfanyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 182.6
[M+Na]+ 377.12942 185.0
[M-H]- 353.13292 189.3
[M+NH4]+ 372.17402 187.1
[M+K]+ 393.10336 183.3
[M+H-H2O]+ 337.13746 166.5
[M+HCOO]- 399.13840 196.2
[M+CH3COO]- 413.15405 216.8
[M+Na-2H]- 375.11487 181.1
[M]+ 354.13965 191.8
[M]- 354.14075 191.8
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.