CID 118059872

1771804-77-3

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₆S

SMILES

COC(CNS(=O)(=O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC

InChI

InChI=1S/C19H22N2O6S/c1-25-18(26-2)11-20-28(23,24)21-19(22)27-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18,20H,11-12H2,1-2H3,(H,21,22)

InChIKey

HUYOMBHZNMTQPT-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-(2,2-dimethoxyethylsulfamoyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 406.11984 Da
Monoisotopic Mass: 2.2
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]+	407.127116	191.1
[M+Na]+	429.109058	196.0
[M-H]-	405.112564	195.8
[M+NH4]+	424.153663	205.1
[M+K]+	445.082998	193.9
[M+H-H2O]+	389.117100	184.4
[M+HCOO]-	451.118041	207.5
[M+CH3COO]-	465.133691	223.5
[M+Na-2H]-	427.094506	195.8
[M]+	406.11929142	199.2
[M]-	406.12038858	199.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe