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

1
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

literature stripe

Patent stripe

patents stripe