CID 3046557

62367-89-9

Structural Information

Molecular Formula
C20H19NO2
SMILES
CCC(C(=O)C)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H19NO2/c1-3-15(13(2)22)20(23)18-16-11-7-8-12-17(16)21-19(18)14-9-5-4-6-10-14/h4-12,15,21H,3H2,1-2H3
InChIKey
AQWLYHINRNMLPB-UHFFFAOYSA-N
Compound name
2-ethyl-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

305.14157 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 173.2
[M+Na]+ 328.13079 180.3
[M-H]- 304.13429 178.4
[M+NH4]+ 323.17539 188.5
[M+K]+ 344.10473 174.8
[M+H-H2O]+ 288.13883 165.3
[M+HCOO]- 350.13977 192.5
[M+CH3COO]- 364.15542 204.7
[M+Na-2H]- 326.11624 174.0
[M]+ 305.14102 174.4
[M]- 305.14212 174.4
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.