CID 72816

14318-37-7

Structural Information

Molecular Formula
C19H22N2S2
SMILES
C1N(CSC(=S)N1CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKey
NYQTVLZGKQXVIT-UHFFFAOYSA-N
Compound name
3,5-bis(2-phenylethyl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1
Patents

342.12244 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.129716 175.9
[M+Na]+ 365.111658 181.9
[M-H]- 341.115164 181.2
[M+NH4]+ 360.156263 187.1
[M+K]+ 381.085598 173.5
[M+H-H2O]+ 325.119700 166.6
[M+HCOO]- 387.120641 183.3
[M+CH3COO]- 401.136291 184.4
[M+Na-2H]- 363.097106 175.0
[M]+ 342.12189142 174.0
[M]- 342.12298858 174.0
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

patents stripe