CID 76510

3083-11-2

Structural Information

Molecular Formula

C₁₅H₃₇N₅

SMILES

CN(C)CCN(C)CCN(C)CCN(C)CCN(C)C

InChI

InChI=1S/C15H37N5/c1-16(2)8-10-18(5)12-14-20(7)15-13-19(6)11-9-17(3)4/h8-15H2,1-7H3

InChIKey

SZYLDXKMZNIHDQ-UHFFFAOYSA-N

Compound name

N'-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 316
Patents: 287.3049 Da
Monoisotopic Mass: 0.4
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]+	288.312176	182.6
[M+Na]+	310.294118	182.7
[M-H]-	286.297624	188.4
[M+NH4]+	305.338723	199.9
[M+K]+	326.268058	187.2
[M+H-H2O]+	270.302160	173.0
[M+HCOO]-	332.303101	210.7
[M+CH3COO]-	346.318751	236.3
[M+Na-2H]-	308.279566	181.9
[M]+	287.30435142	189.5
[M]-	287.30544858	189.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe