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]+ 325.173296 174.3
[M+Na]+ 347.155238 178.9
[M-H]- 323.158744 177.9
[M+NH4]+ 342.199843 187.7
[M+K]+ 363.129178 172.5
[M+H-H2O]+ 307.163280 164.5
[M+HCOO]- 369.164221 182.0
[M+CH3COO]- 383.179871 182.5
[M+Na-2H]- 345.140686 176.5
[M]+ 324.16547142 170.6
[M]- 324.16656858 170.6
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.