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

2
Annotation Hits: 0
References: 49
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]+	186.080796	137.5
[M+Na]+	208.062738	146.9
[M-H]-	184.066244	137.4
[M+NH4]+	203.107343	153.7
[M+K]+	224.036678	143.2
[M+H-H2O]+	168.070780	129.8
[M+HCOO]-	230.071721	155.2
[M+CH3COO]-	244.087371	185.7
[M+Na-2H]-	206.048186	142.4
[M]+	185.07297142	138.2
[M]-	185.07406858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe