CID 5465573

Nsc655185

Structural Information

Molecular Formula

C₁₅H₉NO₄

SMILES

C1=CC2=C(C=C1O)NC3=C2C(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C15H9NO4/c17-7-1-3-9-11(5-7)16-14-10-4-2-8(18)6-12(10)20-15(19)13(9)14/h1-6,16-18H

InChIKey

BUSSJLNPECLYJI-UHFFFAOYSA-N

Compound name

3,9-dihydroxy-11H-chromeno[4,3-b]indol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.05316 Da
Monoisotopic Mass: 2.5
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]+	268.06044	153.5
[M+Na]+	290.04238	167.6
[M-H]-	266.04588	157.9
[M+NH4]+	285.08698	171.1
[M+K]+	306.01632	162.3
[M+H-H2O]+	250.05042	147.6
[M+HCOO]-	312.05136	173.1
[M+CH3COO]-	326.06701	167.1
[M+Na-2H]-	288.02783	162.7
[M]+	267.05261	158.4
[M]-	267.05371	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.