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]+ 336.17806 179.3
[M+Na]+ 358.16000 184.7
[M-H]- 334.16350 184.4
[M+NH4]+ 353.20460 195.9
[M+K]+ 374.13394 177.8
[M+H-H2O]+ 318.16804 171.2
[M+HCOO]- 380.16898 194.4
[M+CH3COO]- 394.18463 218.2
[M+Na-2H]- 356.14545 181.9
[M]+ 335.17023 181.9
[M]- 335.17133 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.