CID 12644343

1h-pyrrolo[3,2-b]pyridine-2,3-dione

Structural Information

Molecular Formula

C₇H₄N₂O₂

SMILES

C1=CC2=C(C(=O)C(=O)N2)N=C1

InChI

InChI=1S/C7H4N2O2/c10-6-5-4(9-7(6)11)2-1-3-8-5/h1-3H,(H,9,10,11)

InChIKey

FVYFYUSRNVYACL-UHFFFAOYSA-N

Compound name

1H-pyrrolo[3,2-b]pyridine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 148.02728 Da
Monoisotopic Mass: 0.0
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]+	149.03456	127.6
[M+Na]+	171.01650	139.8
[M+NH4]+	166.06110	135.3
[M+K]+	186.99044	136.2
[M-H]-	147.02000	127.4
[M+Na-2H]-	169.00195	132.4
[M]+	148.02673	129.0
[M]-	148.02783	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe