CID 216992

Tienopramine

Structural Information

Molecular Formula

C₁₇H₂₀N₂S

SMILES

CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2

InChI

InChI=1S/C17H20N2S/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17/h3-4,6-10,13H,5,11-12H2,1-2H3

InChIKey

JFAOODCMLJZILM-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 33
Patents: 284.1347 Da
Monoisotopic Mass: 4.2
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]+	285.141976	166.9
[M+Na]+	307.123918	173.7
[M-H]-	283.127424	173.6
[M+NH4]+	302.168523	185.5
[M+K]+	323.097858	173.2
[M+H-H2O]+	267.131960	160.8
[M+HCOO]-	329.132901	183.9
[M+CH3COO]-	343.148551	178.3
[M+Na-2H]-	305.109366	169.4
[M]+	284.13415142	168.9
[M]-	284.13524858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe