CID 291823

3,5-di-p-tolyl-3,4,5,6-tetrahydro-2h-1,3,5-thiadiazine-2-thione

Structural Information

Molecular Formula
C17H18N2S2
SMILES
CC1=CC=C(C=C1)N2CN(C(=S)SC2)C3=CC=C(C=C3)C
InChI
InChI=1S/C17H18N2S2/c1-13-3-7-15(8-4-13)18-11-19(17(20)21-12-18)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
KEOMSXFJCIKCNZ-UHFFFAOYSA-N
Compound name
3,5-bis(4-methylphenyl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09116 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.098436 168.4
[M+Na]+ 337.080378 176.9
[M-H]- 313.083884 174.9
[M+NH4]+ 332.124983 181.4
[M+K]+ 353.054318 169.0
[M+H-H2O]+ 297.088420 159.9
[M+HCOO]- 359.089361 176.3
[M+CH3COO]- 373.105011 178.4
[M+Na-2H]- 335.065826 167.1
[M]+ 314.09061142 166.8
[M]- 314.09170858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.