CID 199124

10-(2-piperidinoethyl)phenothiazine

Structural Information

Molecular Formula
C19H22N2S
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H22N2S/c1-6-12-20(13-7-1)14-15-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11H,1,6-7,12-15H2
InChIKey
FATXGYLVHUWCIR-UHFFFAOYSA-N
Compound name
10-(2-piperidin-1-ylethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.15036 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 169.9
[M+Na]+ 333.13958 175.3
[M-H]- 309.14308 173.7
[M+NH4]+ 328.18418 183.9
[M+K]+ 349.11352 168.6
[M+H-H2O]+ 293.14762 160.1
[M+HCOO]- 355.14856 179.0
[M+CH3COO]- 369.16421 178.6
[M+Na-2H]- 331.12503 173.6
[M]+ 310.14981 166.4
[M]- 310.15091 166.4
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

patents stripe