CID 396761

Chembl168136

Structural Information

Molecular Formula
C20H17NO4S
SMILES
C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCCOC3=CC=CC=C3
InChI
InChI=1S/C20H17NO4S/c22-19(18-12-7-13-24-18)21(16-8-3-1-4-9-16)20(26)25-15-14-23-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKey
MUASZSXJGBBMCG-UHFFFAOYSA-N
Compound name
O-(2-phenoxyethyl) N-(furan-2-carbonyl)-N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.08783 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09511 188.6
[M+Na]+ 390.07705 193.5
[M-H]- 366.08055 200.2
[M+NH4]+ 385.12165 201.3
[M+K]+ 406.05099 191.7
[M+H-H2O]+ 350.08509 180.0
[M+HCOO]- 412.08603 208.1
[M+CH3COO]- 426.10168 213.9
[M+Na-2H]- 388.06250 189.1
[M]+ 367.08728 194.1
[M]- 367.08838 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.