CID 3061076

78614-35-4

Structural Information

Molecular Formula
C14H20N2O4S2
SMILES
C1CSC(=O)N(C1=O)CCCCCCN2C(=O)CCSC2=O
InChI
InChI=1S/C14H20N2O4S2/c17-11-5-9-21-13(19)15(11)7-3-1-2-4-8-16-12(18)6-10-22-14(16)20/h1-10H2
InChIKey
PTBUMDSWUCVPNK-UHFFFAOYSA-N
Compound name
3-[6-(2,4-dioxo-1,3-thiazinan-3-yl)hexyl]-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.08646 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09374 176.1
[M+Na]+ 367.07568 180.5
[M-H]- 343.07918 177.9
[M+NH4]+ 362.12028 187.0
[M+K]+ 383.04962 175.1
[M+H-H2O]+ 327.08372 168.3
[M+HCOO]- 389.08466 180.3
[M+CH3COO]- 403.10031 207.5
[M+Na-2H]- 365.06113 171.9
[M]+ 344.08591 175.3
[M]- 344.08701 175.3
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.