CID 3018646

76274-44-7

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

C1=CC=C(C(=C1)C(=O)NCCNCCN)O

InChI

InChI=1S/C11H17N3O2/c12-5-6-13-7-8-14-11(16)9-3-1-2-4-10(9)15/h1-4,13,15H,5-8,12H2,(H,14,16)

InChIKey

NPBHHEOEOZUVDI-UHFFFAOYSA-N

Compound name

N-[2-(2-aminoethylamino)ethyl]-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.13208 Da
Monoisotopic Mass: 0.0
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]+	224.139356	149.9
[M+Na]+	246.121298	154.3
[M-H]-	222.124804	151.3
[M+NH4]+	241.165903	166.1
[M+K]+	262.095238	151.6
[M+H-H2O]+	206.129340	142.7
[M+HCOO]-	268.130281	174.3
[M+CH3COO]-	282.145931	194.0
[M+Na-2H]-	244.106746	154.4
[M]+	223.13153142	147.1
[M]-	223.13262858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe