CID 199141

1-methyl-1-(2-(10-phenothiazinylcarbonyl)ethyl)pyrrolidinium bromide

Structural Information

Molecular Formula
C20H23N2OS
SMILES
C[N+]1(CCCC1)CCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H23N2OS/c1-22(13-6-7-14-22)15-12-20(23)21-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)21/h2-5,8-11H,6-7,12-15H2,1H3/q+1
InChIKey
GZHOQIGXQGHZTJ-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1531 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16038 175.2
[M+Na]+ 362.14232 190.4
[M+NH4]+ 357.18692 187.5
[M+K]+ 378.11626 180.0
[M-H]- 338.14582 181.4
[M+Na-2H]- 360.12777 183.8
[M]+ 339.15255 180.2
[M]- 339.15365 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.