CID 68833

Quisultazine

Structural Information

Molecular Formula
C21H25N3O2S2
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C4CN5CCC4CC5
InChI
InChI=1S/C21H25N3O2S2/c1-22(2)28(25,26)16-7-8-21-18(13-16)24(17-5-3-4-6-20(17)27-21)19-14-23-11-9-15(19)10-12-23/h3-8,13,15,19H,9-12,14H2,1-2H3
InChIKey
HTHHBTMNLHMBHQ-UHFFFAOYSA-N
Compound name
10-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethylphenothiazine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

137
Patents

415.13882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14610 182.6
[M+Na]+ 438.12804 184.9
[M-H]- 414.13154 179.7
[M+NH4]+ 433.17264 196.5
[M+K]+ 454.10198 181.5
[M+H-H2O]+ 398.13608 175.2
[M+HCOO]- 460.13702 178.4
[M+CH3COO]- 474.15267 187.9
[M+Na-2H]- 436.11349 194.1
[M]+ 415.13827 186.9
[M]- 415.13937 186.9
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.