CID 4835028

95110-30-8

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
C1C2C(=O)N(CC(=O)N2CS1)CC3=CC=CC=C3
InChI
InChI=1S/C13H14N2O2S/c16-12-7-14(6-10-4-2-1-3-5-10)13(17)11-8-18-9-15(11)12/h1-5,11H,6-9H2
InChIKey
NUEYRYTVWQWFAU-UHFFFAOYSA-N
Compound name
7-benzyl-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

262.0776 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 158.2
[M+Na]+ 285.06682 166.3
[M-H]- 261.07032 162.9
[M+NH4]+ 280.11142 175.6
[M+K]+ 301.04076 161.9
[M+H-H2O]+ 245.07486 150.9
[M+HCOO]- 307.07580 171.1
[M+CH3COO]- 321.09145 169.5
[M+Na-2H]- 283.05227 158.2
[M]+ 262.07705 157.1
[M]- 262.07815 157.1
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.