CID 15958458

2,6-bis[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C17H14Cl2N2O3S
SMILES
C1=CC(=CC=C1CN2C=CC(=O)N(S2(=O)=O)CC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O3S/c18-15-5-1-13(2-6-15)11-20-10-9-17(22)21(25(20,23)24)12-14-3-7-16(19)8-4-14/h1-10H,11-12H2
InChIKey
VOTHIUWGAWRUBF-UHFFFAOYSA-N
Compound name
2,6-bis[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.01022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01750 182.0
[M+Na]+ 418.99944 193.3
[M-H]- 395.00294 189.1
[M+NH4]+ 414.04404 194.4
[M+K]+ 434.97338 185.8
[M+H-H2O]+ 379.00748 173.9
[M+HCOO]- 441.00842 187.7
[M+CH3COO]- 455.02407 192.3
[M+Na-2H]- 416.98489 183.2
[M]+ 396.00967 187.4
[M]- 396.01077 187.4
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

No patent data available for this compound.