CID 5275466

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

Structural Information

Molecular Formula
C17H31N5OS4
SMILES
CCCN1CN(C(=S)SC1)CC(C(=O)N(C)C)N2CN(CSC2=S)CCC
InChI
InChI=1S/C17H31N5OS4/c1-5-7-19-10-21(16(24)26-12-19)9-14(15(23)18(3)4)22-11-20(8-6-2)13-27-17(22)25/h14H,5-13H2,1-4H3
InChIKey
VWFJZAYKVGNVQH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,3-bis(5-propyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.14114 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14842 192.4
[M+Na]+ 472.13036 194.3
[M-H]- 448.13386 189.9
[M+NH4]+ 467.17496 196.8
[M+K]+ 488.10430 184.7
[M+H-H2O]+ 432.13840 185.0
[M+HCOO]- 494.13934 180.9
[M+CH3COO]- 508.15499 233.4
[M+Na-2H]- 470.11581 186.5
[M]+ 449.14059 187.1
[M]- 449.14169 187.1
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.