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]+ 207.07642 143.6
[M+Na]+ 229.05836 153.2
[M-H]- 205.06186 143.4
[M+NH4]+ 224.10296 161.8
[M+K]+ 245.03230 149.1
[M+H-H2O]+ 189.06640 138.0
[M+HCOO]- 251.06734 160.1
[M+CH3COO]- 265.08299 182.1
[M+Na-2H]- 227.04381 145.1
[M]+ 206.06859 141.1
[M]- 206.06969 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.