CID 3034344

23613-02-7

Structural Information

Molecular Formula

C₉H₁₇N₅S

SMILES

CCNC1=NC(=S)N=C(N1)N(CC)CC

InChI

InChI=1S/C9H17N5S/c1-4-10-7-11-8(13-9(15)12-7)14(5-2)6-3/h4-6H2,1-3H3,(H2,10,11,12,13,15)

InChIKey

GOUKSYJATNOEID-UHFFFAOYSA-N

Compound name

2-(diethylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 227.12047 Da
Monoisotopic Mass: 0.9
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]+	228.12775	150.4
[M+Na]+	250.10969	158.4
[M-H]-	226.11319	150.4
[M+NH4]+	245.15429	165.0
[M+K]+	266.08363	154.3
[M+H-H2O]+	210.11773	142.1
[M+HCOO]-	272.11867	166.9
[M+CH3COO]-	286.13432	195.4
[M+Na-2H]-	248.09514	153.7
[M]+	227.11992	151.9
[M]-	227.12102	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe