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 175.4
[M+Na]+ 347.11886 181.6
[M-H]- 323.12236 180.3
[M+NH4]+ 342.16346 190.9
[M+K]+ 363.09280 176.2
[M+H-H2O]+ 307.12690 167.2
[M+HCOO]- 369.12784 185.2
[M+CH3COO]- 383.14349 184.8
[M+Na-2H]- 345.10431 175.1
[M]+ 324.12909 174.2
[M]- 324.13019 174.2
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.