CID 457731

4-methyl-1h-indeno[1,2-b]pyridine-2,5-dione

Structural Information

Molecular Formula
C13H9NO2
SMILES
CC1=CC(=O)NC2=C1C(=O)C3=CC=CC=C32
InChI
InChI=1S/C13H9NO2/c1-7-6-10(15)14-12-8-4-2-3-5-9(8)13(16)11(7)12/h2-6H,1H3,(H,14,15)
InChIKey
WMXQHGKTLWYTGW-UHFFFAOYSA-N
Compound name
4-methyl-1H-indeno[1,2-b]pyridine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

211.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 142.4
[M+Na]+ 234.05254 154.6
[M-H]- 210.05604 146.6
[M+NH4]+ 229.09714 163.8
[M+K]+ 250.02648 149.2
[M+H-H2O]+ 194.06058 136.6
[M+HCOO]- 256.06152 164.1
[M+CH3COO]- 270.07717 156.6
[M+Na-2H]- 232.03799 148.8
[M]+ 211.06277 143.8
[M]- 211.06387 143.8
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