CID 24840290

94909-80-5

Structural Information

Molecular Formula
C21H25NO2S
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCOCC4
InChI
InChI=1S/C21H25NO2S/c1-23-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)25-21)6-4-10-22-11-13-24-14-12-22/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3
InChIKey
OKXNXTKHUJRTTE-UHFFFAOYSA-N
Compound name
4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1606 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.167876 181.5
[M+Na]+ 378.149818 186.7
[M-H]- 354.153324 187.4
[M+NH4]+ 373.194423 193.9
[M+K]+ 394.123758 182.2
[M+H-H2O]+ 338.157860 172.1
[M+HCOO]- 400.158801 190.8
[M+CH3COO]- 414.174451 190.3
[M+Na-2H]- 376.135266 184.3
[M]+ 355.16005142 182.0
[M]- 355.16114858 182.0
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.