CID 24846998

Thioxanthene-9-propylamine, n,n-diallyl-

Structural Information

Molecular Formula
C22H25NS
SMILES
C=CCN(CCCC1C2=CC=CC=C2SC3=CC=CC=C13)CC=C
InChI
InChI=1S/C22H25NS/c1-3-15-23(16-4-2)17-9-12-18-19-10-5-7-13-21(19)24-22-14-8-6-11-20(18)22/h3-8,10-11,13-14,18H,1-2,9,12,15-17H2
InChIKey
ZKYISPQBFDDFJG-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)-3-(9H-thioxanthen-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17078 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.178056 179.3
[M+Na]+ 358.159998 184.7
[M-H]- 334.163504 184.4
[M+NH4]+ 353.204603 195.9
[M+K]+ 374.133938 177.8
[M+H-H2O]+ 318.168040 171.2
[M+HCOO]- 380.168981 194.4
[M+CH3COO]- 394.184631 218.2
[M+Na-2H]- 356.145446 181.9
[M]+ 335.17023142 181.9
[M]- 335.17132858 181.9
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.