CID 621404

20772-80-9

Structural Information

Molecular Formula

C₁₈H₁₅NO

SMILES

CC1=CC(=CC=C1)N=CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C18H15NO/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20/h2-12,20H,1H3

InChIKey

KPOSMMCBBUZMRX-UHFFFAOYSA-N

Compound name

1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 261.11536 Da
Monoisotopic Mass: 4.5
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]+	262.12264	159.1
[M+Na]+	284.10458	167.7
[M-H]-	260.10808	167.1
[M+NH4]+	279.14918	176.7
[M+K]+	300.07852	162.1
[M+H-H2O]+	244.11262	151.1
[M+HCOO]-	306.11356	183.4
[M+CH3COO]-	320.12921	171.8
[M+Na-2H]-	282.09003	166.5
[M]+	261.11481	159.4
[M]-	261.11591	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe