CID 479667

(4r)-2-oxo-n-[(1r)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)N2[C@H](CC2=O)CSC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2S/c1-14(15-8-4-2-5-9-15)20-19(23)21-16(12-18(21)22)13-24-17-10-6-3-7-11-17/h2-11,14,16H,12-13H2,1H3,(H,20,23)/t14-,16-/m1/s1
InChIKey
WKHOCWLJQNSUGX-GDBMZVCRSA-N
Compound name
(4R)-2-oxo-N-[(1R)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.12454 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 178.2
[M+Na]+ 363.11376 181.1
[M-H]- 339.11726 185.1
[M+NH4]+ 358.15836 183.3
[M+K]+ 379.08770 179.6
[M+H-H2O]+ 323.12180 162.3
[M+HCOO]- 385.12274 192.1
[M+CH3COO]- 399.13839 213.9
[M+Na-2H]- 361.09921 177.2
[M]+ 340.12399 187.1
[M]- 340.12509 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.