CID 3056128

2,3,4,9-tetrahydro-n-ethyl-9-phenylthiopyrano(2,3-b)indole-4-methanamine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂N₂S

SMILES

CCNCC1CCSC2=C1C3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C20H22N2S/c1-2-21-14-15-12-13-23-20-19(15)17-10-6-7-11-18(17)22(20)16-8-4-3-5-9-16/h3-11,15,21H,2,12-14H2,1H3

InChIKey

XWWKZBOYGLHIQD-UHFFFAOYSA-N

Compound name

N-[(9-phenyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 322.15036 Da
Monoisotopic Mass: 4.6
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]+	323.157636	173.1
[M+Na]+	345.139578	181.6
[M-H]-	321.143084	180.2
[M+NH4]+	340.184183	190.6
[M+K]+	361.113518	174.5
[M+H-H2O]+	305.147620	165.3
[M+HCOO]-	367.148561	189.5
[M+CH3COO]-	381.164211	184.2
[M+Na-2H]-	343.125026	176.4
[M]+	322.14981142	174.9
[M]-	322.15090858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe