CID 5275464

N,n-dimethyl-2,3-bis(5-methyl-2-thioxo-1,3,5-thiadiazinan-3-yl)propanamide

Structural Information

Molecular Formula
C13H23N5OS4
SMILES
CN1CN(C(=S)SC1)CC(C(=O)N(C)C)N2CN(CSC2=S)C
InChI
InChI=1S/C13H23N5OS4/c1-14(2)11(19)10(18-7-16(4)9-23-13(18)21)5-17-6-15(3)8-22-12(17)20/h10H,5-9H2,1-4H3
InChIKey
SBCBHBLXGJFBML-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,3-bis(5-methyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.07855 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08583 179.7
[M+Na]+ 416.06777 183.2
[M-H]- 392.07127 177.9
[M+NH4]+ 411.11237 186.1
[M+K]+ 432.04171 174.4
[M+H-H2O]+ 376.07581 172.8
[M+HCOO]- 438.07675 169.1
[M+CH3COO]- 452.09240 223.0
[M+Na-2H]- 414.05322 174.7
[M]+ 393.07800 173.1
[M]- 393.07910 173.1
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.