CID 15604010

Ametoctradin

Structural Information

Molecular Formula

C₁₅H₂₅N₅

SMILES

CCCCCCCCC1=C(N2C(=NC=N2)N=C1CC)N

InChI

InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3

InChIKey

GGKQIOFASHYUJZ-UHFFFAOYSA-N

Compound name

5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 9456
Patents: 275.211 Da
Monoisotopic Mass: 4.6
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]+	276.21828	169.2
[M+Na]+	298.20022	178.5
[M-H]-	274.20372	168.1
[M+NH4]+	293.24482	183.2
[M+K]+	314.17416	173.1
[M+H-H2O]+	258.20826	159.6
[M+HCOO]-	320.20920	188.9
[M+CH3COO]-	334.22485	205.1
[M+Na-2H]-	296.18567	172.9
[M]+	275.21045	173.8
[M]-	275.21155	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe