CID 7130987

2-acetyl-3-methyl-1h,4h,5h,6h,7h-pyrrolo[3,2-c]pyridine-4,6-dione

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CC1=C(NC2=C1C(=O)NC(=O)C2)C(=O)C
InChI
InChI=1S/C10H10N2O3/c1-4-8-6(11-9(4)5(2)13)3-7(14)12-10(8)15/h11H,3H2,1-2H3,(H,12,14,15)
InChIKey
XZEKLDSAYFPKLQ-UHFFFAOYSA-N
Compound name
2-acetyl-3-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 143.6
[M+Na]+ 229.058358 153.2
[M-H]- 205.061864 143.4
[M+NH4]+ 224.102963 161.8
[M+K]+ 245.032298 149.1
[M+H-H2O]+ 189.066400 138.0
[M+HCOO]- 251.067341 160.1
[M+CH3COO]- 265.082991 182.1
[M+Na-2H]- 227.043806 145.1
[M]+ 206.06859142 141.1
[M]- 206.06968858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.