CID 10270027

141818-73-7

Structural Information

Molecular Formula
C18H22N2O4S
SMILES
CN(C)C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)SC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H22N2O4S/c1-4-10-24-18(23)20-12-14(11-15(20)16(21)19(2)3)25-17(22)13-8-6-5-7-9-13/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15-/m0/s1
InChIKey
HOCDRPVUJNMBCM-GJZGRUSLSA-N
Compound name
prop-2-enyl (2S,4S)-4-benzoylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.13004 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13732 185.6
[M+Na]+ 385.11926 192.7
[M+NH4]+ 380.16386 190.5
[M+K]+ 401.09320 188.7
[M-H]- 361.12276 186.4
[M+Na-2H]- 383.10471 188.0
[M]+ 362.12949 186.7
[M]- 362.13059 186.7
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

patents stripe