CID 24846994

Thioxanthene-9-propylamine, n-butyl-, hydrochloride

Structural Information

Molecular Formula
C20H25NS
SMILES
CCCCNCCCC1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C20H25NS/c1-2-3-14-21-15-8-11-16-17-9-4-6-12-19(17)22-20-13-7-5-10-18(16)20/h4-7,9-10,12-13,16,21H,2-3,8,11,14-15H2,1H3
InChIKey
IBVBGIRUEDHALX-UHFFFAOYSA-N
Compound name
N-[3-(9H-thioxanthen-9-yl)propyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17078 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.178056 170.8
[M+Na]+ 334.159998 176.4
[M-H]- 310.163504 174.7
[M+NH4]+ 329.204603 188.0
[M+K]+ 350.133938 169.8
[M+H-H2O]+ 294.168040 163.2
[M+HCOO]- 356.168981 185.8
[M+CH3COO]- 370.184631 180.8
[M+Na-2H]- 332.145446 175.3
[M]+ 311.17023142 173.0
[M]- 311.17132858 173.0
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.