CID 18823

6-amino-3-(4-pyridyl)coumarin

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC2=C(C=C1N)C=C(C(=O)O2)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2O2/c15-11-1-2-13-10(7-11)8-12(14(17)18-13)9-3-5-16-6-4-9/h1-8H,15H2

InChIKey

ZCWDGFDHXZDMQC-UHFFFAOYSA-N

Compound name

6-amino-3-pyridin-4-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.07423 Da
Monoisotopic Mass: 1.8
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]+	239.081506	150.9
[M+Na]+	261.063448	161.3
[M-H]-	237.066954	158.3
[M+NH4]+	256.108053	166.5
[M+K]+	277.037388	157.6
[M+H-H2O]+	221.071490	142.4
[M+HCOO]-	283.072431	173.8
[M+CH3COO]-	297.088081	164.2
[M+Na-2H]-	259.048896	160.0
[M]+	238.07368142	151.5
[M]-	238.07477858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe