CID 47758

65907-29-1

Structural Information

Molecular Formula
C17H24N2O5S
SMILES
CC(C)OC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C17H24N2O5S/c1-11(2)22-15(20)18(5)25-19(6)16(21)23-13-9-7-8-12-10-17(3,4)24-14(12)13/h7-9,11H,10H2,1-6H3
InChIKey
BFSFEYYYMRSBEG-UHFFFAOYSA-N
Compound name
propan-2-yl 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

368.1406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.147876 186.9
[M+Na]+ 391.129818 191.6
[M-H]- 367.133324 194.2
[M+NH4]+ 386.174423 203.9
[M+K]+ 407.103758 194.1
[M+H-H2O]+ 351.137860 181.2
[M+HCOO]- 413.138801 203.0
[M+CH3COO]- 427.154451 224.0
[M+Na-2H]- 389.115266 186.5
[M]+ 368.14005142 196.5
[M]- 368.14114858 196.5
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

No patent data available for this compound.