CID 62867

Pipotiazine

Structural Information

Molecular Formula
C24H33N3O3S2
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
InChI
InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
InChIKey
JOMHSQGEWSNUKU-UHFFFAOYSA-N
Compound name
10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

2979
Patents

475.19632 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.20360 207.2
[M+Na]+ 498.18554 210.3
[M-H]- 474.18904 209.6
[M+NH4]+ 493.23014 214.3
[M+K]+ 514.15948 203.8
[M+H-H2O]+ 458.19358 198.2
[M+HCOO]- 520.19452 208.5
[M+CH3COO]- 534.21017 236.9
[M+Na-2H]- 496.17099 209.0
[M]+ 475.19577 208.5
[M]- 475.19687 208.5
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