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 177.7
[M+Na]+ 363.09850 183.7
[M-H]- 339.10200 185.4
[M+NH4]+ 358.14310 196.0
[M+K]+ 379.07244 185.9
[M+H-H2O]+ 323.10654 172.1
[M+HCOO]- 385.10748 195.6
[M+CH3COO]- 399.12313 217.2
[M+Na-2H]- 361.08395 179.3
[M]+ 340.10873 187.3
[M]- 340.10983 187.3
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

No patent data available for this compound.