CID 16770976

1193389-67-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=CO2)CN

InChI

InChI=1S/C13H14N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1-7H,8-9,14H2,(H,15,16)

InChIKey

CQUUZMGVVVHKGB-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-N-(furan-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 0.7
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]+	231.112806	151.7
[M+Na]+	253.094748	157.9
[M-H]-	229.098254	158.7
[M+NH4]+	248.139353	169.0
[M+K]+	269.068688	155.8
[M+H-H2O]+	213.102790	144.3
[M+HCOO]-	275.103731	177.3
[M+CH3COO]-	289.119381	192.8
[M+Na-2H]-	251.080196	156.5
[M]+	230.10498142	151.2
[M]-	230.10607858	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.