CID 3046560

Brn 1476246

Structural Information

Molecular Formula
C19H15NO2
SMILES
CC(=O)C(=C)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2/c1-12(13(2)21)19(22)17-15-10-6-7-11-16(15)20-18(17)14-8-4-3-5-9-14/h3-11,20H,1H2,2H3
InChIKey
KEGUISXYUKAPBR-UHFFFAOYSA-N
Compound name
2-methylidene-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 167.4
[M+Na]+ 312.09952 175.3
[M-H]- 288.10302 172.9
[M+NH4]+ 307.14412 183.3
[M+K]+ 328.07346 169.4
[M+H-H2O]+ 272.10756 159.8
[M+HCOO]- 334.10850 187.2
[M+CH3COO]- 348.12415 201.0
[M+Na-2H]- 310.08497 168.8
[M]+ 289.10975 167.5
[M]- 289.11085 167.5
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.