CID 3401606

4-nitro-n'-phenylbenzohydrazide

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₃

SMILES

C1=CC=C(C=C1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17)

InChIKey

UMNDVZQMQWFSOH-UHFFFAOYSA-N

Compound name

4-nitro-N'-phenylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 257.08005 Da
Monoisotopic Mass: 2.9
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]+	258.08733	155.0
[M+Na]+	280.06927	167.6
[M+NH4]+	275.11387	162.5
[M+K]+	296.04321	163.8
[M-H]-	256.07277	161.1
[M+Na-2H]-	278.05472	163.9
[M]+	257.07950	158.2
[M]-	257.08060	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe