CID 3059810

77267-55-1

Structural Information

Molecular Formula
C16H23NO4S2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)S(=O)SC(C)(C)C)C
InChI
InChI=1S/C16H23NO4S2/c1-15(2,3)22-23(19)17(6)14(18)20-12-9-7-8-11-10-16(4,5)21-13(11)12/h7-9H,10H2,1-6H3
InChIKey
LAOUKIOHIFDLPN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-tert-butylsulfanylsulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.10684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11412 181.2
[M+Na]+ 380.09606 187.6
[M-H]- 356.09956 186.8
[M+NH4]+ 375.14066 198.8
[M+K]+ 396.07000 187.0
[M+H-H2O]+ 340.10410 177.0
[M+HCOO]- 402.10504 190.1
[M+CH3COO]- 416.12069 214.8
[M+Na-2H]- 378.08151 182.6
[M]+ 357.10629 189.7
[M]- 357.10739 189.7
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

patents stripe