CID 333457

2,6-diphenyl-4h-1,3,4-thiadiazin-5(6h)-one

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)C2C(=O)NN=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2OS/c18-14-13(11-7-3-1-4-8-11)19-15(17-16-14)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)
InChIKey
SXBQMAWKMNGHBO-UHFFFAOYSA-N
Compound name
2,6-diphenyl-4H-1,3,4-thiadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.074326 158.7
[M+Na]+ 291.056268 166.5
[M-H]- 267.059774 164.3
[M+NH4]+ 286.100873 171.8
[M+K]+ 307.030208 159.7
[M+H-H2O]+ 251.064310 149.7
[M+HCOO]- 313.065251 172.7
[M+CH3COO]- 327.080901 169.3
[M+Na-2H]- 289.041716 162.1
[M]+ 268.06650142 155.5
[M]- 268.06759858 155.5
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.