CID 122632

Dmtpte

Structural Information

Molecular Formula

C₁₂H₁₅N₃S₂

SMILES

CN(C)CCSC1=NC=CC(=N1)C2=CC=CS2

InChI

InChI=1S/C12H15N3S2/c1-15(2)7-9-17-12-13-6-5-10(14-12)11-4-3-8-16-11/h3-6,8H,7,9H2,1-2H3

InChIKey

CIALFTQGEPVUMB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 265.07074 Da
Monoisotopic Mass: 2.5
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]+	266.07802	155.8
[M+Na]+	288.05996	164.8
[M-H]-	264.06346	161.5
[M+NH4]+	283.10456	173.0
[M+K]+	304.03390	160.4
[M+H-H2O]+	248.06800	148.0
[M+HCOO]-	310.06894	170.0
[M+CH3COO]-	324.08459	167.9
[M+Na-2H]-	286.04541	156.2
[M]+	265.07019	160.2
[M]-	265.07129	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe