CID 3057222

P 298

Structural Information

Molecular Formula
C20H24N2S
SMILES
CC(CN1CCCCC1)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2S/c1-16(15-21-13-7-2-8-14-21)22-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)22/h3-6,9-12,16H,2,7-8,13-15H2,1H3
InChIKey
KAIHSNBGTARFNB-UHFFFAOYSA-N
Compound name
10-(1-piperidin-1-ylpropan-2-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16602 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 174.7
[M+Na]+ 347.15524 189.2
[M+NH4]+ 342.19984 185.3
[M+K]+ 363.12918 177.6
[M-H]- 323.15874 180.6
[M+Na-2H]- 345.14069 182.1
[M]+ 324.16547 179.1
[M]- 324.16657 179.1
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.