CID 461500

Chembl154439

Structural Information

Molecular Formula
C14H23NO2S2Si
SMILES
CC[Si](CC)(CC)OCCN1SC2=CC=CC=C2[S@]1=O
InChI
InChI=1S/C14H23NO2S2Si/c1-4-20(5-2,6-3)17-12-11-15-18-13-9-7-8-10-14(13)19(15)16/h7-10H,4-6,11-12H2,1-3H3/t19-/m1/s1
InChIKey
UWYVCVJKIKJYBZ-LJQANCHMSA-N
Compound name
triethyl-[2-[(1R)-1-oxo-1lambda4,3,2-benzodithiazol-2-yl]ethoxy]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

329.09393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10121 174.8
[M+Na]+ 352.08315 182.6
[M-H]- 328.08665 177.2
[M+NH4]+ 347.12775 192.2
[M+K]+ 368.05709 177.9
[M+H-H2O]+ 312.09119 169.0
[M+HCOO]- 374.09213 183.8
[M+CH3COO]- 388.10778 203.8
[M+Na-2H]- 350.06860 174.3
[M]+ 329.09338 181.3
[M]- 329.09448 181.3
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