CID 4472

Nialamide

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)

InChIKey

NOIIUHRQUVNIDD-UHFFFAOYSA-N

Compound name

N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1503
References: 12269
Patents: 298.14297 Da
Monoisotopic Mass: 0.9
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]+	299.15025	168.0
[M+Na]+	321.13219	171.0
[M-H]-	297.13569	172.5
[M+NH4]+	316.17679	179.9
[M+K]+	337.10613	167.4
[M+H-H2O]+	281.14023	158.1
[M+HCOO]-	343.14117	192.3
[M+CH3COO]-	357.15682	208.7
[M+Na-2H]-	319.11764	174.3
[M]+	298.14242	166.2
[M]-	298.14352	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe