CID 374999

Nsc653825

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C16H15N3O2/c17-11-15(13-6-8-14(20)9-7-13)18-19-16(21)10-12-4-2-1-3-5-12/h1-9,15,18,20H,10H2,(H,19,21)

InChIKey

MESZBNVENSIJMS-UHFFFAOYSA-N

Compound name

N'-[cyano-(4-hydroxyphenyl)methyl]-2-phenylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.0
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]+	282.123696	172.3
[M+Na]+	304.105638	178.7
[M-H]-	280.109144	175.7
[M+NH4]+	299.150243	184.3
[M+K]+	320.079578	173.5
[M+H-H2O]+	264.113680	157.6
[M+HCOO]-	326.114621	191.0
[M+CH3COO]-	340.130271	212.4
[M+Na-2H]-	302.091086	175.0
[M]+	281.11587142	164.5
[M]-	281.11696858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.