CID 673424

890-33-5

Structural Information

Molecular Formula

C₁₄H₁₀N₂OS

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=NC=CS3)O

InChI

InChI=1S/C14H10N2OS/c17-13-6-5-10-3-1-2-4-11(10)12(13)9-16-14-15-7-8-18-14/h1-9,17H

InChIKey

RPRCLWZSHQECQD-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.05139 Da
Monoisotopic Mass: 3.5
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]+	255.05867	153.2
[M+Na]+	277.04061	164.4
[M-H]-	253.04411	160.8
[M+NH4]+	272.08521	172.5
[M+K]+	293.01455	158.7
[M+H-H2O]+	237.04865	146.2
[M+HCOO]-	299.04959	175.0
[M+CH3COO]-	313.06524	166.9
[M+Na-2H]-	275.02606	159.1
[M]+	254.05084	157.2
[M]-	254.05194	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe