CID 59433

102516-84-7

Structural Information

Molecular Formula
C20H23NO3S
SMILES
C1CSCCN1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3S/c22-19(24-14-11-21-12-15-25-16-13-21)20(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,23H,11-16H2
InChIKey
MBRDCFKZGAXJIM-UHFFFAOYSA-N
Compound name
2-thiomorpholin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13986 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.147136 184.0
[M+Na]+ 380.129078 186.1
[M-H]- 356.132584 189.1
[M+NH4]+ 375.173683 193.8
[M+K]+ 396.103018 181.2
[M+H-H2O]+ 340.137120 174.7
[M+HCOO]- 402.138061 194.0
[M+CH3COO]- 416.153711 206.6
[M+Na-2H]- 378.114526 185.5
[M]+ 357.13931142 181.4
[M]- 357.14040858 181.4
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

No patent data available for this compound.