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

43
Patents

406.11984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12712 191.1
[M+Na]+ 429.10906 196.0
[M-H]- 405.11256 195.8
[M+NH4]+ 424.15366 205.1
[M+K]+ 445.08300 193.9
[M+H-H2O]+ 389.11710 184.4
[M+HCOO]- 451.11804 207.5
[M+CH3COO]- 465.13369 223.5
[M+Na-2H]- 427.09451 195.8
[M]+ 406.11929 199.2
[M]- 406.12039 199.2
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

patents stripe