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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.116556	177.7
[M+Na]+	363.098498	183.7
[M-H]-	339.102004	185.4
[M+NH4]+	358.143103	196.0
[M+K]+	379.072438	185.9
[M+H-H2O]+	323.106540	172.1
[M+HCOO]-	385.107481	195.6
[M+CH3COO]-	399.123131	217.2
[M+Na-2H]-	361.083946	179.3
[M]+	340.10873142	187.3
[M]-	340.10982858	187.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.