CID 206389

Brn 1535221

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC(C)N1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1
InChI
InChI=1S/C17H15NO2/c1-11(2)18-9-7-12(8-10-18)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-11H,1-2H3
InChIKey
BARWNEXAEKNALP-UHFFFAOYSA-N
Compound name
2-(1-propan-2-ylpyridin-4-ylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 161.4
[M+Na]+ 288.09952 175.0
[M+NH4]+ 283.14412 169.6
[M+K]+ 304.07346 169.4
[M-H]- 264.10302 164.8
[M+Na-2H]- 286.08497 167.2
[M]+ 265.10975 164.2
[M]- 265.11085 164.2
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.