CID 47757

65907-28-0

Structural Information

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

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.147876 186.9
[M+Na]+ 391.129818 191.9
[M-H]- 367.133324 194.1
[M+NH4]+ 386.174423 203.9
[M+K]+ 407.103758 193.7
[M+H-H2O]+ 351.137860 180.8
[M+HCOO]- 413.138801 204.0
[M+CH3COO]- 427.154451 223.0
[M+Na-2H]- 389.115266 187.5
[M]+ 368.14005142 197.1
[M]- 368.14114858 197.1
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.