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]+ 369.14788 186.9
[M+Na]+ 391.12982 191.6
[M-H]- 367.13332 194.2
[M+NH4]+ 386.17442 203.9
[M+K]+ 407.10376 194.1
[M+H-H2O]+ 351.13786 181.2
[M+HCOO]- 413.13880 203.0
[M+CH3COO]- 427.15445 224.0
[M+Na-2H]- 389.11527 186.5
[M]+ 368.14005 196.5
[M]- 368.14115 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.