CID 76374

Karbazolin

Structural Information

Molecular Formula

C₂₂H₄₅N₃

SMILES

CCCCCCCCCCCCCCCCCC1=NCCN1CCN

InChI

InChI=1S/C22H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2-21,23H2,1H3

InChIKey

ZDESIKLNPAKKBA-UHFFFAOYSA-N

Compound name

2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 351.36136 Da
Monoisotopic Mass: 6.9
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]+	352.36864	197.4
[M+Na]+	374.35058	204.0
[M+NH4]+	369.39518	202.7
[M+K]+	390.32452	196.7
[M-H]-	350.35408	197.5
[M+Na-2H]-	372.33603	198.0
[M]+	351.36081	198.0
[M]-	351.36191	198.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe