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]+ 356.16788 182.3
[M+Na]+ 378.14982 197.0
[M+NH4]+ 373.19442 192.5
[M+K]+ 394.12376 185.6
[M-H]- 354.15332 189.6
[M+Na-2H]- 376.13527 188.7
[M]+ 355.16005 187.2
[M]- 355.16115 187.2
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

No patent data available for this compound.