CID 11036239

2h-1,3,5-thiadiazine-2-thione, 3,3'-(1,2-ethanediyl)bis[tetrahydro-5-propyl-

Structural Information

Molecular Formula
C14H26N4S4
SMILES
CCCN1CN(C(=S)SC1)CCN2CN(CSC2=S)CCC
InChI
InChI=1S/C14H26N4S4/c1-3-5-15-9-17(13(19)21-11-15)7-8-18-10-16(6-4-2)12-22-14(18)20/h3-12H2,1-2H3
InChIKey
IUCJGBXSUBSWPX-UHFFFAOYSA-N
Compound name
5-propyl-3-[2-(5-propyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.10403 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11131 176.4
[M+Na]+ 401.09325 181.4
[M-H]- 377.09675 173.5
[M+NH4]+ 396.13785 183.7
[M+K]+ 417.06719 170.7
[M+H-H2O]+ 361.10129 169.5
[M+HCOO]- 423.10223 166.6
[M+CH3COO]- 437.11788 180.9
[M+Na-2H]- 399.07870 170.8
[M]+ 378.10348 170.0
[M]- 378.10458 170.0
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.