CID 456718

4-amino-n'-(4-aminobenzoyl)benzohydrazide

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)N)N

InChI

InChI=1S/C14H14N4O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,15-16H2,(H,17,19)(H,18,20)

InChIKey

KHYDOPYXAWJCSB-UHFFFAOYSA-N

Compound name

4-amino-N'-(4-aminobenzoyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 270.11166 Da
Monoisotopic Mass: 1.0
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]+	271.118936	160.6
[M+Na]+	293.100878	165.7
[M-H]-	269.104384	166.7
[M+NH4]+	288.145483	174.9
[M+K]+	309.074818	162.5
[M+H-H2O]+	253.108920	152.1
[M+HCOO]-	315.109861	186.6
[M+CH3COO]-	329.125511	206.2
[M+Na-2H]-	291.086326	164.4
[M]+	270.11111142	155.7
[M]-	270.11220858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe