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]+ 311.15764 170.8
[M+Na]+ 333.13958 177.1
[M-H]- 309.14308 175.0
[M+NH4]+ 328.18418 185.1
[M+K]+ 349.11352 170.4
[M+H-H2O]+ 293.14762 161.2
[M+HCOO]- 355.14856 179.8
[M+CH3COO]- 369.16421 179.9
[M+Na-2H]- 331.12503 173.7
[M]+ 310.14981 167.8
[M]- 310.15091 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.