CID 207893

31083-55-3

Structural Information

Molecular Formula
C15H9NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O
InChI
InChI=1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H
InChIKey
OMHZFEWYVFWVLI-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

92
Patents

235.06332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07060 150.3
[M+Na]+ 258.05254 160.5
[M-H]- 234.05604 157.2
[M+NH4]+ 253.09714 169.6
[M+K]+ 274.02648 155.1
[M+H-H2O]+ 218.06058 142.9
[M+HCOO]- 280.06152 173.2
[M+CH3COO]- 294.07717 163.8
[M+Na-2H]- 256.03799 155.0
[M]+ 235.06277 150.2
[M]- 235.06387 150.2
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