CID 475134

2-benzyl-6-[2-[tert-butyl(dimethyl)silyl]ethoxymethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C20H32N2O4SSi
SMILES
CC1=CC(=O)N(S(=O)(=O)N1COCC[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C20H32N2O4SSi/c1-17-14-19(23)21(15-18-10-8-7-9-11-18)27(24,25)22(17)16-26-12-13-28(5,6)20(2,3)4/h7-11,14H,12-13,15-16H2,1-6H3
InChIKey
GUHDFDDKPFACRE-UHFFFAOYSA-N
Compound name
2-benzyl-6-[2-[tert-butyl(dimethyl)silyl]ethoxymethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19248 199.2
[M+Na]+ 447.17442 206.0
[M-H]- 423.17792 202.7
[M+NH4]+ 442.21902 210.0
[M+K]+ 463.14836 202.0
[M+H-H2O]+ 407.18246 191.3
[M+HCOO]- 469.18340 208.8
[M+CH3COO]- 483.19905 223.0
[M+Na-2H]- 445.15987 200.5
[M]+ 424.18465 205.5
[M]- 424.18575 205.5
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.