CID 113922

63834-18-4

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4CCCC4
InChI
InChI=1S/C19H20N2OS/c1-14(20-12-6-7-13-20)19(22)21-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)21/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKey
AUXLHDRYVJNWFW-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-yl-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 173.6
[M+Na]+ 347.11886 186.4
[M+NH4]+ 342.16346 183.2
[M+K]+ 363.09280 178.4
[M-H]- 323.12236 177.9
[M+Na-2H]- 345.10431 179.4
[M]+ 324.12909 177.2
[M]- 324.13019 177.2
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.