CID 55515

Dtxsid301006959

Structural Information

Molecular Formula

C₁₄H₁₉NO₄S

SMILES

CCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C14H19NO4S/c1-5-17-20-15(4)13(16)18-11-8-6-7-10-9-14(2,3)19-12(10)11/h6-8H,5,9H2,1-4H3

InChIKey

CTJNNPVEDDHSSW-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethoxysulfanyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 297.1035 Da
Monoisotopic Mass: 3.4
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]+	298.110776	166.7
[M+Na]+	320.092718	174.2
[M-H]-	296.096224	173.3
[M+NH4]+	315.137323	186.8
[M+K]+	336.066658	174.6
[M+H-H2O]+	280.100760	161.6
[M+HCOO]-	342.101701	184.3
[M+CH3COO]-	356.117351	204.8
[M+Na-2H]-	318.078166	169.4
[M]+	297.10295142	175.5
[M]-	297.10404858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe