CID 3074291

2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-2-phenylthiazolidine

Structural Information

Molecular Formula
C15H21NS3
SMILES
CC1(SCCS1)CCC2(NCCS2)C3=CC=CC=C3
InChI
InChI=1S/C15H21NS3/c1-14(17-11-12-18-14)7-8-15(16-9-10-19-15)13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKey
VGCLWENJUACTIG-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-phenyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09090 167.0
[M+Na]+ 334.07284 174.3
[M-H]- 310.07634 172.3
[M+NH4]+ 329.11744 187.5
[M+K]+ 350.04678 168.2
[M+H-H2O]+ 294.08088 162.8
[M+HCOO]- 356.08182 170.8
[M+CH3COO]- 370.09747 176.6
[M+Na-2H]- 332.05829 165.6
[M]+ 311.08307 164.1
[M]- 311.08417 164.1
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.