CID 208518

32367-75-2

Structural Information

Molecular Formula
C20H24N2S
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2S/c1-21-14-7-6-8-16(21)13-15-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12,16H,6-8,13-15H2,1H3
InChIKey
PURCCNBPWTXDHB-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
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 175.7
[M+Na]+ 347.15524 191.0
[M+NH4]+ 342.19984 186.4
[M+K]+ 363.12918 178.6
[M-H]- 323.15874 181.9
[M+Na-2H]- 345.14069 183.2
[M]+ 324.16547 180.4
[M]- 324.16657 180.4
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