CID 24840293

Brn 1084993

Structural Information

Molecular Formula
C20H23NOS
SMILES
CC(CC1C2=CC=CC=C2SC3=CC=CC=C13)N4CCOCC4
InChI
InChI=1S/C20H23NOS/c1-15(21-10-12-22-13-11-21)14-18-16-6-2-4-8-19(16)23-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3
InChIKey
RRBJOYMUXGGPSH-UHFFFAOYSA-N
Compound name
4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.157296 173.2
[M+Na]+ 348.139238 177.9
[M-H]- 324.142744 179.1
[M+NH4]+ 343.183843 186.6
[M+K]+ 364.113178 173.5
[M+H-H2O]+ 308.147280 164.3
[M+HCOO]- 370.148221 181.7
[M+CH3COO]- 384.163871 182.2
[M+Na-2H]- 346.124686 176.1
[M]+ 325.14947142 171.0
[M]- 325.15056858 171.0
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.