CID 93779

57718-47-5

Structural Information

Molecular Formula

C₁₈H₂₃N₃

SMILES

C1CN(CCC1NC2=CC=CC=C2N)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14,19H2

InChIKey

MHXACMFKKGZLNW-UHFFFAOYSA-N

Compound name

2-N-(1-benzylpiperidin-4-yl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 281.1892 Da
Monoisotopic Mass: 3.3
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]+	282.196476	166.7
[M+Na]+	304.178418	170.0
[M-H]-	280.181924	173.3
[M+NH4]+	299.223023	179.6
[M+K]+	320.152358	164.3
[M+H-H2O]+	264.186460	156.5
[M+HCOO]-	326.187401	186.9
[M+CH3COO]-	340.203051	176.1
[M+Na-2H]-	302.163866	170.7
[M]+	281.18865142	159.2
[M]-	281.18974858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe