CID 33142

1,3-dibenzylguanidine hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇N₃

SMILES

C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)

InChIKey

VEGSEUJMFASKPM-UHFFFAOYSA-N

Compound name

1,2-dibenzylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 200
Patents: 239.14224 Da
Monoisotopic Mass: 2.2
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]+	240.14952	157.7
[M+Na]+	262.13146	169.6
[M+NH4]+	257.17606	166.5
[M+K]+	278.10540	161.3
[M-H]-	238.13496	164.4
[M+Na-2H]-	260.11691	167.8
[M]+	239.14169	161.2
[M]-	239.14279	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe