CID 5275467

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

Structural Information

Molecular Formula
C19H35N5OS4
SMILES
CCCCN1CN(C(=S)SC1)CC(C(=O)N(C)C)N2CN(CSC2=S)CCCC
InChI
InChI=1S/C19H35N5OS4/c1-5-7-9-21-12-23(18(26)28-14-21)11-16(17(25)20(3)4)24-13-22(10-8-6-2)15-29-19(24)27/h16H,5-15H2,1-4H3
InChIKey
PROHIBOPESCOEK-UHFFFAOYSA-N
Compound name
2,3-bis(5-butyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.17245 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17973 198.7
[M+Na]+ 500.16167 199.7
[M-H]- 476.16517 195.8
[M+NH4]+ 495.20627 202.0
[M+K]+ 516.13561 189.8
[M+H-H2O]+ 460.16971 191.0
[M+HCOO]- 522.17065 186.7
[M+CH3COO]- 536.18630 238.5
[M+Na-2H]- 498.14712 192.2
[M]+ 477.17190 193.9
[M]- 477.17300 193.9
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.