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]+ 315.09844 168.4
[M+Na]+ 337.08038 176.9
[M-H]- 313.08388 174.9
[M+NH4]+ 332.12498 181.4
[M+K]+ 353.05432 169.0
[M+H-H2O]+ 297.08842 159.9
[M+HCOO]- 359.08936 176.3
[M+CH3COO]- 373.10501 178.4
[M+Na-2H]- 335.06583 167.1
[M]+ 314.09061 166.8
[M]- 314.09171 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.