CID 6444848

47623-20-1

Structural Information

Molecular Formula
C22H27N3O2S2
SMILES
CN(C)S(=O)(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN4CCNCC4
InChI
InChI=1S/C22H27N3O2S2/c1-24(2)29(26,27)17-9-10-22-20(16-17)18(19-6-3-4-8-21(19)28-22)7-5-13-25-14-11-23-12-15-25/h3-4,6-10,16,23H,5,11-15H2,1-2H3/b18-7+
InChIKey
NIOGWJDNUIUWFG-CNHKJKLMSA-N
Compound name
(9E)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.15448 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.16176 193.4
[M+Na]+ 452.14370 204.4
[M+NH4]+ 447.18830 201.0
[M+K]+ 468.11764 193.5
[M-H]- 428.14720 197.1
[M+Na-2H]- 450.12915 198.8
[M]+ 429.15393 196.9
[M]- 429.15503 196.9
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.