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 181.5
[M+Na]+ 378.14982 186.7
[M-H]- 354.15332 187.4
[M+NH4]+ 373.19442 193.9
[M+K]+ 394.12376 182.2
[M+H-H2O]+ 338.15786 172.1
[M+HCOO]- 400.15880 190.8
[M+CH3COO]- 414.17445 190.3
[M+Na-2H]- 376.13527 184.3
[M]+ 355.16005 182.0
[M]- 355.16115 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.