CID 6448291

84964-72-7

Structural Information

Molecular Formula
C20H23NS
SMILES
CCC1=CC2=C(C=C1)/C(=C/CCN(C)C)/C3=CC=CC=C3S2
InChI
InChI=1S/C20H23NS/c1-4-15-11-12-18-16(9-7-13-21(2)3)17-8-5-6-10-19(17)22-20(18)14-15/h5-6,8-12,14H,4,7,13H2,1-3H3/b16-9+
InChIKey
YZFHKVWFDPEQLP-CXUHLZMHSA-N
Compound name
(3E)-3-(3-ethylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 172.3
[M+Na]+ 332.14434 186.7
[M+NH4]+ 327.18894 183.2
[M+K]+ 348.11828 174.5
[M-H]- 308.14784 178.2
[M+Na-2H]- 330.12979 179.2
[M]+ 309.15457 176.8
[M]- 309.15567 176.8
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.