CID 101593708

Terbutrynesulfoxide

Structural Information

Molecular Formula

C₁₀H₁₉N₅OS

SMILES

CCNC1=NC(=NC(=N1)S(=O)C)NC(C)(C)C

InChI

InChI=1S/C10H19N5OS/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)17(5)16/h6H2,1-5H3,(H2,11,12,13,14,15)

InChIKey

LMUNBZZRYCNYLJ-UHFFFAOYSA-N

Compound name

2-N-tert-butyl-4-N-ethyl-6-methylsulfinyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 257.13104 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]+	258.138316	160.1
[M+Na]+	280.120258	167.8
[M-H]-	256.123764	160.2
[M+NH4]+	275.164863	173.5
[M+K]+	296.094198	164.4
[M+H-H2O]+	240.128300	152.0
[M+HCOO]-	302.129241	174.9
[M+CH3COO]-	316.144891	200.2
[M+Na-2H]-	278.105706	163.6
[M]+	257.13049142	162.5
[M]-	257.13158858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.