CID 136499966

765909-95-3

Structural Information

Molecular Formula

C₂₁H₁₅N₃O₃

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C21H15N3O3/c25-19-11-14-6-2-1-5-13(14)10-17(19)21(27)24-22-12-16-9-15-7-3-4-8-18(15)23-20(16)26/h1-12,25H,(H,23,26)(H,24,27)/b22-12+

InChIKey

YBVPNUYSVRWXOI-WSDLNYQXSA-N

Compound name

3-hydroxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 357.11133 Da
Monoisotopic Mass: 3.9
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]+	358.118606	180.5
[M+Na]+	380.100548	189.2
[M-H]-	356.104054	186.9
[M+NH4]+	375.145153	192.2
[M+K]+	396.074488	182.3
[M+H-H2O]+	340.108590	170.5
[M+HCOO]-	402.109531	202.3
[M+CH3COO]-	416.125181	190.6
[M+Na-2H]-	378.085996	188.9
[M]+	357.11078142	181.0
[M]-	357.11187858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.