CID 135408522

Nsc37379

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC=C2O

InChI

InChI=1S/C14H13N3O2/c1-10(12-4-2-3-5-13(12)18)16-17-14(19)11-6-8-15-9-7-11/h2-9,18H,1H3,(H,17,19)/b16-10+

InChIKey

MAOCCGZSMYLPJX-MHWRWJLKSA-N

Compound name

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 255.10077 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]+	256.108046	157.1
[M+Na]+	278.089988	162.9
[M-H]-	254.093494	162.5
[M+NH4]+	273.134593	171.5
[M+K]+	294.063928	159.6
[M+H-H2O]+	238.098030	148.2
[M+HCOO]-	300.098971	181.1
[M+CH3COO]-	314.114621	198.6
[M+Na-2H]-	276.075436	163.0
[M]+	255.10022142	155.6
[M]-	255.10131858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe