CID 603744

Deisopropylametryne

Structural Information

Molecular Formula

C₆H₁₁N₅S

SMILES

CCNC1=NC(=NC(=N1)N)SC

InChI

InChI=1S/C6H11N5S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)

InChIKey

CMKCJDAIKRRBDY-UHFFFAOYSA-N

Compound name

2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 185.07352 Da
Monoisotopic Mass: 1.5
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]+	186.08080	137.5
[M+Na]+	208.06274	148.6
[M+NH4]+	203.10734	144.8
[M+K]+	224.03668	141.5
[M-H]-	184.06624	139.0
[M+Na-2H]-	206.04819	143.2
[M]+	185.07297	139.7
[M]-	185.07407	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe