CID 12644343

1h,2h,3h-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

213
Patents

148.02728 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe