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
2
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]+ 416.146096 182.6
[M+Na]+ 438.128038 184.9
[M-H]- 414.131544 179.7
[M+NH4]+ 433.172643 196.5
[M+K]+ 454.101978 181.5
[M+H-H2O]+ 398.136080 175.2
[M+HCOO]- 460.137021 178.4
[M+CH3COO]- 474.152671 187.9
[M+Na-2H]- 436.113486 194.1
[M]+ 415.13827142 186.9
[M]- 415.13936858 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

literature stripe

Patent stripe

patents stripe