CID 170771

Ai3-62125

Structural Information

Molecular Formula

C₁₄H₂₅N₃

SMILES

CN(C)CCN(CCN(C)C)C1=CC=CC=C1

InChI

InChI=1S/C14H25N3/c1-15(2)10-12-17(13-11-16(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3

InChIKey

XYBJECRQHXFCDU-UHFFFAOYSA-N

Compound name

N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 235.20485 Da
Monoisotopic Mass: 1.8
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]+	236.21213	160.3
[M+Na]+	258.19407	163.3
[M-H]-	234.19757	167.1
[M+NH4]+	253.23867	178.9
[M+K]+	274.16801	164.3
[M+H-H2O]+	218.20211	151.7
[M+HCOO]-	280.20305	187.6
[M+CH3COO]-	294.21870	211.7
[M+Na-2H]-	256.17952	164.2
[M]+	235.20430	163.5
[M]-	235.20540	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe