CID 154850

187585-11-1

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N

InChI

InChI=1S/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3

InChIKey

HSRUZXHIEFFBHR-UHFFFAOYSA-N

Compound name

3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 282.10043 Da
Monoisotopic Mass: 2.0
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]+	283.107706	164.2
[M+Na]+	305.089648	174.4
[M-H]-	281.093154	172.8
[M+NH4]+	300.134253	179.2
[M+K]+	321.063588	171.1
[M+H-H2O]+	265.097690	155.9
[M+HCOO]-	327.098631	188.2
[M+CH3COO]-	341.114281	176.9
[M+Na-2H]-	303.075096	170.1
[M]+	282.09988142	165.6
[M]-	282.10097858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe