CID 24840295

94909-25-8

Structural Information

Molecular Formula
C21H25NOS
SMILES
CC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCOCC4
InChI
InChI=1S/C21H25NOS/c1-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)24-21)6-4-10-22-11-13-23-14-12-22/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3
InChIKey
SDMSMLKJKAYZQD-UHFFFAOYSA-N
Compound name
4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16568 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17296 179.0
[M+Na]+ 362.15490 194.2
[M+NH4]+ 357.19950 189.8
[M+K]+ 378.12884 182.2
[M-H]- 338.15840 186.8
[M+Na-2H]- 360.14035 185.8
[M]+ 339.16513 184.2
[M]- 339.16623 184.2
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.