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 178.2
[M+Na]+ 361.09812 192.1
[M+NH4]+ 356.14272 187.0
[M+K]+ 377.07206 183.5
[M-H]- 337.10162 183.7
[M+Na-2H]- 359.08357 185.3
[M]+ 338.10835 182.2
[M]- 338.10945 182.2
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.

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No patent data available for this compound.