CID 24847010

Thioxanthene-9-propylamine, n-isopropyl-, hydrochloride

Structural Information

Molecular Formula
C19H23NS
SMILES
CC(C)NCCCC1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C19H23NS/c1-14(2)20-13-7-10-15-16-8-3-5-11-18(16)21-19-12-6-4-9-17(15)19/h3-6,8-9,11-12,14-15,20H,7,10,13H2,1-2H3
InChIKey
QLTPVRMNKKTRPU-UHFFFAOYSA-N
Compound name
N-propan-2-yl-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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 167.1
[M+Na]+ 320.14434 172.8
[M-H]- 296.14784 171.3
[M+NH4]+ 315.18894 184.8
[M+K]+ 336.11828 167.0
[M+H-H2O]+ 280.15238 159.9
[M+HCOO]- 342.15332 181.4
[M+CH3COO]- 356.16897 177.4
[M+Na-2H]- 318.12979 171.0
[M]+ 297.15457 168.4
[M]- 297.15567 168.4
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.