CID 72926

3,4-pyridinedicarboximide

Structural Information

Molecular Formula

C₇H₄N₂O₂

SMILES

C1=CN=CC2=C1C(=O)NC2=O

InChI

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

InChIKey

SJSABZBUTDSWMJ-UHFFFAOYSA-N

Compound name

pyrrolo[3,4-c]pyridine-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 547
Patents: 148.02728 Da
Monoisotopic Mass: -0.4
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	125.9
[M+Na]+	171.01650	136.5
[M-H]-	147.02000	127.0
[M+NH4]+	166.06110	146.9
[M+K]+	186.99044	133.4
[M+H-H2O]+	131.02454	119.7
[M+HCOO]-	193.02548	147.0
[M+CH3COO]-	207.04113	170.4
[M+Na-2H]-	169.00195	132.9
[M]+	148.02673	124.6
[M]-	148.02783	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe