CID 9996268

27090-72-8

Structural Information

Molecular Formula
C10H18N4S4
SMILES
CN1CN(C(=S)SC1)CCN2CN(CSC2=S)C
InChI
InChI=1S/C10H18N4S4/c1-11-5-13(9(15)17-7-11)3-4-14-6-12(2)8-18-10(14)16/h3-8H2,1-2H3
InChIKey
RGFNAVKFMNZAEN-UHFFFAOYSA-N
Compound name
5-methyl-3-[2-(5-methyl-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

322.04144 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04872 163.6
[M+Na]+ 345.03066 170.4
[M-H]- 321.03416 161.5
[M+NH4]+ 340.07526 173.1
[M+K]+ 361.00460 160.4
[M+H-H2O]+ 305.03870 157.4
[M+HCOO]- 367.03964 154.9
[M+CH3COO]- 381.05529 169.6
[M+Na-2H]- 343.01611 159.1
[M]+ 322.04089 156.0
[M]- 322.04199 156.0
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.