CID 366911

Nsc635971

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₄

SMILES

C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2O)O

InChI

InChI=1S/C15H14N2O4/c18-12-7-3-1-5-10(12)16-14(20)9-15(21)17-11-6-2-4-8-13(11)19/h1-8,18-19H,9H2,(H,16,20)(H,17,21)

InChIKey

HFXZIXZPIABOKV-UHFFFAOYSA-N

Compound name

N,N'-bis(2-hydroxyphenyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 286.09537 Da
Monoisotopic Mass: 2.5
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]+	287.10265	163.3
[M+Na]+	309.08459	168.4
[M-H]-	285.08809	167.5
[M+NH4]+	304.12919	176.5
[M+K]+	325.05853	165.0
[M+H-H2O]+	269.09263	155.4
[M+HCOO]-	331.09357	185.6
[M+CH3COO]-	345.10922	200.1
[M+Na-2H]-	307.07004	166.9
[M]+	286.09482	161.3
[M]-	286.09592	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe