CID 116269

Dtxsid40982078

Structural Information

Molecular Formula

C₁₉H₃₆N₂

SMILES

CCCCCCCCCCCCCCCC1=NC=C(N1)C

InChI

InChI=1S/C19H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18(2)21-19/h17H,3-16H2,1-2H3,(H,20,21)

InChIKey

DSBVJJNBNAAFBD-UHFFFAOYSA-N

Compound name

5-methyl-2-pentadecyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.28784 Da
Monoisotopic Mass: 8.2
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]+	293.29512	180.0
[M+Na]+	315.27706	183.5
[M-H]-	291.28056	177.5
[M+NH4]+	310.32166	194.2
[M+K]+	331.25100	178.3
[M+H-H2O]+	275.28510	171.1
[M+HCOO]-	337.28604	197.7
[M+CH3COO]-	351.30169	205.3
[M+Na-2H]-	313.26251	179.1
[M]+	292.28729	183.7
[M]-	292.28839	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe