CID 3001535

135813-18-2

Structural Information

Molecular Formula
C16H24ClNO3SSi
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC[Si](C)(C)C
InChI
InChI=1S/C16H24ClNO3SSi/c1-11(2)21-16(22)18-12-6-7-14(17)13(10-12)15(19)20-8-9-23(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,18,22)
InChIKey
QTSAVFNFUSSLKN-UHFFFAOYSA-N
Compound name
2-trimethylsilylethyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.09348 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10076 184.7
[M+Na]+ 396.08270 190.1
[M-H]- 372.08620 188.0
[M+NH4]+ 391.12730 198.9
[M+K]+ 412.05664 185.9
[M+H-H2O]+ 356.09074 178.9
[M+HCOO]- 418.09168 194.2
[M+CH3COO]- 432.10733 215.3
[M+Na-2H]- 394.06815 182.2
[M]+ 373.09293 192.0
[M]- 373.09403 192.0
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.