CID 157663

Ametryne sulfoxide

Structural Information

Molecular Formula

C₉H₁₇N₅OS

SMILES

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

InChI

InChI=1S/C9H17N5OS/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)16(4)15/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey

LKFFHIOAQPRPCO-UHFFFAOYSA-N

Compound name

4-N-ethyl-6-methylsulfinyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.11539 Da
Monoisotopic Mass: 1.1
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]+	244.12267	153.9
[M+Na]+	266.10461	163.5
[M+NH4]+	261.14921	159.7
[M+K]+	282.07855	157.5
[M-H]-	242.10811	154.3
[M+Na-2H]-	264.09006	158.0
[M]+	243.11484	155.4
[M]-	243.11594	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe