CID 65812

Tiopropamine

Structural Information

Molecular Formula

C₂₄H₂₇NS

SMILES

C1=CC=C(C=C1)C(CCNCCCSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27NS/c1-4-11-21(12-5-1)24(22-13-6-2-7-14-22)17-19-25-18-10-20-26-23-15-8-3-9-16-23/h1-9,11-16,24-25H,10,17-20H2

InChIKey

NUWWGCMQIKROIJ-UHFFFAOYSA-N

Compound name

3,3-diphenyl-N-(3-phenylsulfanylpropyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 83
Patents: 361.18643 Da
Monoisotopic Mass: 6.1
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]+	362.193706	187.2
[M+Na]+	384.175648	190.2
[M-H]-	360.179154	195.0
[M+NH4]+	379.220253	199.0
[M+K]+	400.149588	182.7
[M+H-H2O]+	344.183690	177.3
[M+HCOO]-	406.184631	204.6
[M+CH3COO]-	420.200281	195.8
[M+Na-2H]-	382.161096	189.3
[M]+	361.18588142	187.8
[M]-	361.18697858	187.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe