CID 205101

Compound 22

Structural Information

Molecular Formula
C20H24N2OS
SMILES
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2OS/c23-16-10-14-21(15-11-16)12-5-13-22-17-6-1-3-8-19(17)24-20-9-4-2-7-18(20)22/h1-4,6-9,16,23H,5,10-15H2
InChIKey
DVOZVMGNANFGKF-UHFFFAOYSA-N
Compound name
1-(3-phenothiazin-10-ylpropyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 179.0
[M+Na]+ 363.15017 193.2
[M+NH4]+ 358.19477 188.7
[M+K]+ 379.12411 181.7
[M-H]- 339.15367 184.1
[M+Na-2H]- 361.13562 185.4
[M]+ 340.16040 183.1
[M]- 340.16150 183.1
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.