CID 114330

N-ethyl-piperidyl phenothiazine

Structural Information

Molecular Formula
C19H22N2S
SMILES
CCN1CCC(CC1)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H22N2S/c1-2-20-13-11-15(12-14-20)21-16-7-3-5-9-18(16)22-19-10-6-4-8-17(19)21/h3-10,15H,2,11-14H2,1H3
InChIKey
SEGQAZFXAOGOIF-UHFFFAOYSA-N
Compound name
10-(1-ethylpiperidin-4-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.157636 170.8
[M+Na]+ 333.139578 177.1
[M-H]- 309.143084 175.0
[M+NH4]+ 328.184183 185.1
[M+K]+ 349.113518 170.4
[M+H-H2O]+ 293.147620 161.2
[M+HCOO]- 355.148561 179.8
[M+CH3COO]- 369.164211 179.9
[M+Na-2H]- 331.125026 173.7
[M]+ 310.14981142 167.8
[M]- 310.15090858 167.8
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

No patent data available for this compound.