CID 537563

Prometryn sulfoxide

Structural Information

Molecular Formula

C₁₀H₁₉N₅OS

SMILES

CC(C)NC1=NC(=NC(=N1)S(=O)C)NC(C)C

InChI

InChI=1S/C10H19N5OS/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)17(5)16/h6-7H,1-5H3,(H2,11,12,13,14,15)

InChIKey

HQYUMPWBGTUHSK-UHFFFAOYSA-N

Compound name

6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-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: 1.7
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	158.2
[M+Na]+	280.120258	164.9
[M-H]-	256.123764	158.2
[M+NH4]+	275.164863	171.3
[M+K]+	296.094198	162.2
[M+H-H2O]+	240.128300	149.8
[M+HCOO]-	302.129241	172.5
[M+CH3COO]-	316.144891	202.3
[M+Na-2H]-	278.105706	159.1
[M]+	257.13049142	160.2
[M]-	257.13158858	160.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.