CID 6862673

Nsc211446

Structural Information

Molecular Formula

C₁₇H₁₃N₃O

SMILES

C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H13N3O/c21-17(15-8-4-10-18-11-15)20-19-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)/b19-12+

InChIKey

IAYHTOVGJJEMHL-XDHOZWIPSA-N

Compound name

N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 275.10587 Da
Monoisotopic Mass: 3.0
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]+	276.11315	161.2
[M+Na]+	298.09509	167.9
[M-H]-	274.09859	168.4
[M+NH4]+	293.13969	176.4
[M+K]+	314.06903	163.0
[M+H-H2O]+	258.10313	151.5
[M+HCOO]-	320.10407	186.2
[M+CH3COO]-	334.11972	172.8
[M+Na-2H]-	296.08054	170.6
[M]+	275.10532	160.6
[M]-	275.10642	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe