CID 3035346

29529-99-5

Structural Information

Molecular Formula

C₁₁H₂₀N₄S₂

SMILES

CCCCN(CCCC)C1=NC(=S)NC(=S)N1

InChI

InChI=1S/C11H20N4S2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9/h3-8H2,1-2H3,(H2,12,13,14,16,17)

InChIKey

IXDGHAZCSMVIFX-UHFFFAOYSA-N

Compound name

6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3684
Patents: 272.11295 Da
Monoisotopic Mass: 2.8
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]+	273.12023	157.2
[M+Na]+	295.10217	165.0
[M-H]-	271.10567	155.1
[M+NH4]+	290.14677	169.8
[M+K]+	311.07611	157.4
[M+H-H2O]+	255.11021	149.7
[M+HCOO]-	317.11115	165.0
[M+CH3COO]-	331.12680	197.7
[M+Na-2H]-	293.08762	156.5
[M]+	272.11240	158.1
[M]-	272.11350	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe