CID 86622

Einecs 241-740-6

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₂

SMILES

CC(=O)NC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H18N4O2/c1-13(23)21-17-7-3-15(4-8-17)11-19-20-12-16-5-9-18(10-6-16)22-14(2)24/h3-12H,1-2H3,(H,21,23)(H,22,24)

InChIKey

IJZPLXLJPCGXJX-UHFFFAOYSA-N

Compound name

N-[4-[[(4-acetamidophenyl)methylidenehydrazinylidene]methyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 322.14297 Da
Monoisotopic Mass: 1.6
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]+	323.150246	176.5
[M+Na]+	345.132188	181.2
[M-H]-	321.135694	185.7
[M+NH4]+	340.176793	190.4
[M+K]+	361.106128	178.2
[M+H-H2O]+	305.140230	166.6
[M+HCOO]-	367.141171	205.7
[M+CH3COO]-	381.156821	221.5
[M+Na-2H]-	343.117636	181.1
[M]+	322.14242142	177.1
[M]-	322.14351858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe