CID 24840339

Morpholine, 4-(3-thioxanthen-9-ylpropyl)-, hydrochloride

Structural Information

Molecular Formula
C20H23NOS
SMILES
C1COCCN1CCCC2C3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C20H23NOS/c1-3-9-19-17(6-1)16(18-7-2-4-10-20(18)23-19)8-5-11-21-12-14-22-15-13-21/h1-4,6-7,9-10,16H,5,8,11-15H2
InChIKey
WIERLTAQJQBHIJ-UHFFFAOYSA-N
Compound name
4-[3-(9H-thioxanthen-9-yl)propyl]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 172.8
[M+Na]+ 348.139238 177.9
[M-H]- 324.142744 178.7
[M+NH4]+ 343.183843 186.4
[M+K]+ 364.113178 173.0
[M+H-H2O]+ 308.147280 163.7
[M+HCOO]- 370.148221 182.4
[M+CH3COO]- 384.163871 182.0
[M+Na-2H]- 346.124686 176.8
[M]+ 325.14947142 171.2
[M]- 325.15056858 171.2
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.