CID 146035701

T-butylhydroxy-terbutryn

Structural Information

Molecular Formula

C₁₀H₁₉N₅OS

SMILES

CCNC1=NC(=NC(=N1)SC)NC(C)(C)CO

InChI

InChI=1S/C10H19N5OS/c1-5-11-7-12-8(14-9(13-7)17-4)15-10(2,3)6-16/h16H,5-6H2,1-4H3,(H2,11,12,13,14,15)

InChIKey

IPQDKPPIYWXHHF-UHFFFAOYSA-N

Compound name

2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 257.13104 Da
Monoisotopic Mass: 2.7
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	160.0
[M+Na]+	280.120258	167.2
[M-H]-	256.123764	158.6
[M+NH4]+	275.164863	172.7
[M+K]+	296.094198	163.0
[M+H-H2O]+	240.128300	152.1
[M+HCOO]-	302.129241	174.2
[M+CH3COO]-	316.144891	198.4
[M+Na-2H]-	278.105706	164.3
[M]+	257.13049142	162.0
[M]-	257.13158858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.