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]+ 326.15730 173.2
[M+Na]+ 348.13924 177.9
[M-H]- 324.14274 179.1
[M+NH4]+ 343.18384 186.6
[M+K]+ 364.11318 173.5
[M+H-H2O]+ 308.14728 164.3
[M+HCOO]- 370.14822 181.7
[M+CH3COO]- 384.16387 182.2
[M+Na-2H]- 346.12469 176.1
[M]+ 325.14947 171.0
[M]- 325.15057 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.