CID 3074210

6-phenyl-7-benzylthiazolidino(3,4-a)piperazine-5,8-dione

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
C1C2C(=O)N(C(C(=O)N2CS1)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C19H18N2O2S/c22-18-16-12-24-13-21(16)19(23)17(15-9-5-2-6-10-15)20(18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKey
NEZMKIKFSDFPIN-UHFFFAOYSA-N
Compound name
7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 179.3
[M+Na]+ 361.09812 186.9
[M-H]- 337.10162 186.9
[M+NH4]+ 356.14272 193.2
[M+K]+ 377.07206 180.6
[M+H-H2O]+ 321.10616 170.3
[M+HCOO]- 383.10710 191.6
[M+CH3COO]- 397.12275 189.2
[M+Na-2H]- 359.08357 177.9
[M]+ 338.10835 177.9
[M]- 338.10945 177.9
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.