CID 18926

Etatryn

Structural Information

Molecular Formula

C₅H₆Cl₂N₄

SMILES

CCNC1=NC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C5H6Cl2N4/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H,8,9,10,11)

InChIKey

ACAHVXOSWOUZAB-UHFFFAOYSA-N

Compound name

4,6-dichloro-N-ethyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 191.99695 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]+	193.00423	134.4
[M+Na]+	214.98617	149.1
[M+NH4]+	210.03077	142.5
[M+K]+	230.96011	142.0
[M-H]-	190.98967	135.5
[M+Na-2H]-	212.97162	142.0
[M]+	191.99640	137.3
[M]-	191.99750	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe