CID 2769373

59944-53-5

Structural Information

Molecular Formula

C₁₆H₃₂N₄

SMILES

CCCCCCCC1=NN=C(N1N)CCCCCCC

InChI

InChI=1S/C16H32N4/c1-3-5-7-9-11-13-15-18-19-16(20(15)17)14-12-10-8-6-4-2/h3-14,17H2,1-2H3

InChIKey

HTAVZCVYBKYBBM-UHFFFAOYSA-N

Compound name

3,5-diheptyl-1,2,4-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 280.2627 Da
Monoisotopic Mass: 5.9
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]+	281.26998	173.9
[M+Na]+	303.25192	179.3
[M-H]-	279.25542	171.9
[M+NH4]+	298.29652	187.7
[M+K]+	319.22586	175.1
[M+H-H2O]+	263.25996	164.3
[M+HCOO]-	325.26090	193.3
[M+CH3COO]-	339.27655	207.0
[M+Na-2H]-	301.23737	173.9
[M]+	280.26215	177.7
[M]-	280.26325	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe