CID 4255417

17272-84-3

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)N

InChI

InChI=1S/C13H14N2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10,14H2

InChIKey

HLFCOTXLSHLIBK-UHFFFAOYSA-N

Compound name

4-N-benzylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 198.11569 Da
Monoisotopic Mass: 2.4
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]+	199.12297	144.8
[M+Na]+	221.10491	158.5
[M+NH4]+	216.14951	154.5
[M+K]+	237.07885	150.2
[M-H]-	197.10841	151.4
[M+Na-2H]-	219.09036	155.5
[M]+	198.11514	148.6
[M]-	198.11624	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe