CID 9571052

2-aminobenzaldehyde phenylhydrazone

Structural Information

Molecular Formula

C₁₃H₁₃N₃

SMILES

C1=CC=C(C=C1)N/N=C/C2=CC=CC=C2N

InChI

InChI=1S/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2/b15-10+

InChIKey

LCPNCBSCOIMOBC-XNTDXEJSSA-N

Compound name

2-[(E)-(phenylhydrazinylidene)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 318
Patents: 211.11095 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]+	212.118226	144.8
[M+Na]+	234.100168	151.1
[M-H]-	210.103674	152.4
[M+NH4]+	229.144773	162.8
[M+K]+	250.074108	147.2
[M+H-H2O]+	194.108210	136.7
[M+HCOO]-	256.109151	173.7
[M+CH3COO]-	270.124801	195.4
[M+Na-2H]-	232.085616	153.4
[M]+	211.11040142	142.0
[M]-	211.11149858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe