CID 4550515

28864-27-9

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C14H13N3O2/c15-12-9-5-4-8-11(12)14(19)17-16-13(18)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,18)(H,17,19)

InChIKey

PRFZPINUJVSKGJ-UHFFFAOYSA-N

Compound name

2-amino-N'-benzoylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.7
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]+	256.10805	156.9
[M+Na]+	278.08999	161.9
[M-H]-	254.09349	163.1
[M+NH4]+	273.13459	172.1
[M+K]+	294.06393	158.7
[M+H-H2O]+	238.09803	148.6
[M+HCOO]-	300.09897	182.5
[M+CH3COO]-	314.11462	200.0
[M+Na-2H]-	276.07544	161.9
[M]+	255.10022	153.2
[M]-	255.10132	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe