CID 11038435

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

Structural Information

Molecular Formula
C24H30N4S4
SMILES
C1N(CSC(=S)N1CCN2CN(CSC2=S)CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H30N4S4/c29-23-27(17-25(19-31-23)13-11-21-7-3-1-4-8-21)15-16-28-18-26(20-32-24(28)30)14-12-22-9-5-2-6-10-22/h1-10H,11-20H2
InChIKey
OWSVKUJTPILDPV-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-3-[2-[5-(2-phenylethyl)-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

502.13535 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.14263 202.8
[M+Na]+ 525.12457 207.7
[M-H]- 501.12807 204.7
[M+NH4]+ 520.16917 205.1
[M+K]+ 541.09851 194.0
[M+H-H2O]+ 485.13261 194.3
[M+HCOO]- 547.13355 194.4
[M+CH3COO]- 561.14920 205.7
[M+Na-2H]- 523.11002 199.6
[M]+ 502.13480 195.2
[M]- 502.13590 195.2
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.