CID 6913695

Cis-n,n-dimethyl-2-ethylthioxanthene-delta(sup 9,gamma)-propylamine hydrochloride h2o (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]+ 310.16240 171.6
[M+Na]+ 332.14434 178.5
[M-H]- 308.14784 177.5
[M+NH4]+ 327.18894 189.8
[M+K]+ 348.11828 172.8
[M+H-H2O]+ 292.15238 164.1
[M+HCOO]- 354.15332 187.2
[M+CH3COO]- 368.16897 182.5
[M+Na-2H]- 330.12979 174.6
[M]+ 309.15457 174.6
[M]- 309.15567 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