CID 6445243

Thioxanthene-2-sulfonamide, n,n-dimethyl-9-(3-(dimethylamino)propylidene)-, hydrochloride, (z)-

Structural Information

Molecular Formula
C20H24N2O2S2
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C
InChI
InChI=1S/C20H24N2O2S2/c1-21(2)13-7-9-16-17-8-5-6-10-19(17)25-20-12-11-15(14-18(16)20)26(23,24)22(3)4/h5-6,8-12,14H,7,13H2,1-4H3/b16-9+
InChIKey
WRNCYLBLBQRLFM-CXUHLZMHSA-N
Compound name
(9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13521 187.5
[M+Na]+ 411.11715 193.4
[M-H]- 387.12065 193.6
[M+NH4]+ 406.16175 202.3
[M+K]+ 427.09109 188.5
[M+H-H2O]+ 371.12519 179.8
[M+HCOO]- 433.12613 197.8
[M+CH3COO]- 447.14178 228.7
[M+Na-2H]- 409.10260 191.2
[M]+ 388.12738 192.9
[M]- 388.12848 192.9
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.