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-yl-4-pyridinylidene)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]+ 266.117576 160.5
[M+Na]+ 288.099518 169.4
[M-H]- 264.103024 167.2
[M+NH4]+ 283.144123 178.8
[M+K]+ 304.073458 164.3
[M+H-H2O]+ 248.107560 153.2
[M+HCOO]- 310.108501 180.3
[M+CH3COO]- 324.124151 198.3
[M+Na-2H]- 286.084966 161.4
[M]+ 265.10975142 159.5
[M]- 265.11084858 159.5
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.