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]+ 269.07433 158.7
[M+Na]+ 291.05627 166.5
[M-H]- 267.05977 164.3
[M+NH4]+ 286.10087 171.8
[M+K]+ 307.03021 159.7
[M+H-H2O]+ 251.06431 149.7
[M+HCOO]- 313.06525 172.7
[M+CH3COO]- 327.08090 169.3
[M+Na-2H]- 289.04172 162.1
[M]+ 268.06650 155.5
[M]- 268.06760 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.