CID 28479

1,7-dibenzyldiethylenetriamine

Structural Information

Molecular Formula

C₁₈H₂₅N₃

SMILES

C1=CC=C(C=C1)CNCCNCCNCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3/c1-3-7-17(8-4-1)15-20-13-11-19-12-14-21-16-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2

InChIKey

RLAQWTCINCQFON-UHFFFAOYSA-N

Compound name

N'-benzyl-N-[2-(benzylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 283.20483 Da
Monoisotopic Mass: 1.9
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]+	284.21211	171.7
[M+Na]+	306.19405	183.0
[M+NH4]+	301.23865	180.1
[M+K]+	322.16799	173.3
[M-H]-	282.19755	178.3
[M+Na-2H]-	304.17950	181.3
[M]+	283.20428	175.1
[M]-	283.20538	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe