CID 199123

Phenothiazine, 10-(3-piperidinopropyl)-

Structural Information

Molecular Formula
C20H24N2S
SMILES
C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2S/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12H,1,6-8,13-16H2
InChIKey
HIBYNAKJXIIMNJ-UHFFFAOYSA-N
Compound name
10-(3-piperidin-1-ylpropyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

324.16602 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 174.1
[M+Na]+ 347.15524 179.1
[M-H]- 323.15874 177.7
[M+NH4]+ 342.19984 187.6
[M+K]+ 363.12918 172.2
[M+H-H2O]+ 307.16328 164.1
[M+HCOO]- 369.16422 182.9
[M+CH3COO]- 383.17987 182.5
[M+Na-2H]- 345.14069 177.3
[M]+ 324.16547 171.0
[M]- 324.16657 171.0
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

patents stripe