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]+ 311.157636 169.9
[M+Na]+ 333.139578 175.3
[M-H]- 309.143084 173.7
[M+NH4]+ 328.184183 183.9
[M+K]+ 349.113518 168.6
[M+H-H2O]+ 293.147620 160.1
[M+HCOO]- 355.148561 179.0
[M+CH3COO]- 369.164211 178.6
[M+Na-2H]- 331.125026 173.6
[M]+ 310.14981142 166.4
[M]- 310.15090858 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