CID 461785

Nsc617408

Structural Information

Molecular Formula
C12H17NO3S2
SMILES
C[C@@H]1C(=O)N(C(=O)O1)CCCC=C2SCCCS2
InChI
InChI=1S/C12H17NO3S2/c1-9-11(14)13(12(15)16-9)6-3-2-5-10-17-7-4-8-18-10/h5,9H,2-4,6-8H2,1H3/t9-/m1/s1
InChIKey
IDUAPOIXAPYQRC-SECBINFHSA-N
Compound name
(5R)-3-[4-(1,3-dithian-2-ylidene)butyl]-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.06497 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07225 164.1
[M+Na]+ 310.05419 170.5
[M-H]- 286.05769 169.1
[M+NH4]+ 305.09879 179.9
[M+K]+ 326.02813 167.0
[M+H-H2O]+ 270.06223 158.4
[M+HCOO]- 332.06317 171.7
[M+CH3COO]- 346.07882 195.3
[M+Na-2H]- 308.03964 160.1
[M]+ 287.06442 164.0
[M]- 287.06552 164.0
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.