CID 47755

65907-26-8

Structural Information

Molecular Formula
C15H20N2O5S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(C)C(=O)OC)C
InChI
InChI=1S/C15H20N2O5S/c1-15(2)9-10-7-6-8-11(12(10)22-15)21-14(19)17(4)23-16(3)13(18)20-5/h6-8H,9H2,1-5H3
InChIKey
QKUHVTAMRXSJJP-UHFFFAOYSA-N
Compound name
methyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11656 177.4
[M+Na]+ 363.09850 184.3
[M+NH4]+ 358.14310 184.8
[M+K]+ 379.07244 179.8
[M-H]- 339.10200 179.5
[M+Na-2H]- 361.08395 180.5
[M]+ 340.10873 179.2
[M]- 340.10983 179.2
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.