CID 24847012

Thioxanthene-9-propylamine, n-propyl-, hydrochloride

Structural Information

Molecular Formula
C19H23NS
SMILES
CCCNCCCC1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C19H23NS/c1-2-13-20-14-7-10-15-16-8-3-5-11-18(16)21-19-12-6-4-9-17(15)19/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3
InChIKey
XYAIELGXZQKJPJ-UHFFFAOYSA-N
Compound name
N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15512 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 168.0
[M+Na]+ 320.14434 182.0
[M+NH4]+ 315.18894 179.1
[M+K]+ 336.11828 169.5
[M-H]- 296.14784 173.8
[M+Na-2H]- 318.12979 175.3
[M]+ 297.15457 172.4
[M]- 297.15567 172.4
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.