CID 6913695

Thioxanthene-delta(sup 9,gamma)-propylamine, n,n-dimethyl-2-ethyl-, hydrochloride, hydrate, (z)-, (2:2:1)

Structural Information

Molecular Formula
C20H23NS
SMILES
CCC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C20H23NS/c1-4-15-11-12-20-18(14-15)16(9-7-13-21(2)3)17-8-5-6-10-19(17)22-20/h5-6,8-12,14H,4,7,13H2,1-3H3/b16-9-
InChIKey
BUTBJHLTXFLASO-SXGWCWSVSA-N
Compound name
(3Z)-3-(2-ethylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.15512 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.162396 171.6
[M+Na]+ 332.144338 178.5
[M-H]- 308.147844 177.5
[M+NH4]+ 327.188943 189.8
[M+K]+ 348.118278 172.8
[M+H-H2O]+ 292.152380 164.1
[M+HCOO]- 354.153321 187.2
[M+CH3COO]- 368.168971 182.5
[M+Na-2H]- 330.129786 174.6
[M]+ 309.15457142 174.6
[M]- 309.15566858 174.6
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

patents stripe