CID 113919

P 413

Structural Information

Molecular Formula

C₂₀H₂₄N₂S

SMILES

CCN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H24N2S/c1-2-21-13-7-8-16(14-21)15-22-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)22/h3-6,9-12,16H,2,7-8,13-15H2,1H3

InChIKey

YDOLOCJNSXOJSV-UHFFFAOYSA-N

Compound name

10-[(1-ethylpiperidin-3-yl)methyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 324.16602 Da
Monoisotopic Mass: 6.0
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]+	325.173296	175.1
[M+Na]+	347.155238	180.9
[M-H]-	323.158744	179.0
[M+NH4]+	342.199843	188.8
[M+K]+	363.129178	174.0
[M+H-H2O]+	307.163280	165.3
[M+HCOO]-	369.164221	183.7
[M+CH3COO]-	383.179871	183.7
[M+Na-2H]-	345.140686	177.5
[M]+	324.16547142	172.4
[M]-	324.16656858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe