CID 3024720

Brn 0762042

Structural Information

Molecular Formula

C₂₁H₂₆N₂OS

SMILES

COC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H26N2OS/c1-24-17-11-15-22(16-12-17)13-6-14-23-18-7-2-4-9-20(18)25-21-10-5-3-8-19(21)23/h2-5,7-10,17H,6,11-16H2,1H3

InChIKey

XGLRHXDUOQZXGK-UHFFFAOYSA-N

Compound name

10-[3-(4-methoxypiperidin-1-yl)propyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.17657 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.183846	182.8
[M+Na]+	377.165788	187.9
[M-H]-	353.169294	186.4
[M+NH4]+	372.210393	195.1
[M+K]+	393.139728	181.4
[M+H-H2O]+	337.173830	172.6
[M+HCOO]-	399.174771	191.2
[M+CH3COO]-	413.190421	190.7
[M+Na-2H]-	375.151236	184.9
[M]+	354.17602142	181.7
[M]-	354.17711858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe