CID 224754

3,5-diphenyl-3,4,5,6-tetrahydro-2h-1,3,5-thiadiazine-2-thione

Structural Information

Molecular Formula
C15H14N2S2
SMILES
C1N(CSC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2S2/c18-15-17(14-9-5-2-6-10-14)11-16(12-19-15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
KBPSVLPWPIBVDP-UHFFFAOYSA-N
Compound name
3,5-diphenyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.05984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06712 159.9
[M+Na]+ 309.04906 167.8
[M-H]- 285.05256 166.1
[M+NH4]+ 304.09366 173.5
[M+K]+ 325.02300 160.3
[M+H-H2O]+ 269.05710 151.5
[M+HCOO]- 331.05804 168.7
[M+CH3COO]- 345.07369 170.2
[M+Na-2H]- 307.03451 160.9
[M]+ 286.05929 156.9
[M]- 286.06039 156.9
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

patents stripe