CID 39974

Tiamenidine

Structural Information

Molecular Formula

C₈H₁₀ClN₃S

SMILES

CC1=CSC(=C1NC2=NCCN2)Cl

InChI

InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12)

InChIKey

CVWILQHZFWRYPB-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 2865
Patents: 215.0284 Da
Monoisotopic Mass: 1.6
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]+	216.03568	145.4
[M+Na]+	238.01762	155.5
[M-H]-	214.02112	149.3
[M+NH4]+	233.06222	165.9
[M+K]+	253.99156	150.6
[M+H-H2O]+	198.02566	139.3
[M+HCOO]-	260.02660	159.2
[M+CH3COO]-	274.04225	158.2
[M+Na-2H]-	236.00307	145.1
[M]+	215.02785	146.0
[M]-	215.02895	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe