CID 422065

112272-97-6

Structural Information

Molecular Formula

C₁₉H₂₂N₂S

SMILES

CCN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H22N2S/c1-2-20-12-11-15(13-20)14-21-16-7-3-5-9-18(16)22-19-10-6-4-8-17(19)21/h3-10,15H,2,11-14H2,1H3

InChIKey

DREIJDPUZJLEMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 310.15036 Da
Monoisotopic Mass: 5.6
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]+	311.157636	172.5
[M+Na]+	333.139578	180.2
[M-H]-	309.143084	177.6
[M+NH4]+	328.184183	189.2
[M+K]+	349.113518	173.7
[M+H-H2O]+	293.147620	164.1
[M+HCOO]-	355.148561	184.0
[M+CH3COO]-	369.164211	182.6
[M+Na-2H]-	331.125026	173.2
[M]+	310.14981142	172.2
[M]-	310.15090858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe