CID 3057194

73973-00-9

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=C(C2=CC=CC=C2N1C)C3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C18H15NO2/c1-11-16(14-9-5-6-10-15(14)19(11)2)17-12-7-3-4-8-13(12)18(20)21-17/h3-10,17H,1-2H3
InChIKey
WGKBOZPFMZYQRK-UHFFFAOYSA-N
Compound name
3-(1,2-dimethylindol-3-yl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

277.1103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 161.6
[M+Na]+ 300.09952 177.8
[M+NH4]+ 295.14412 171.3
[M+K]+ 316.07346 173.4
[M-H]- 276.10302 167.8
[M+Na-2H]- 298.08497 168.2
[M]+ 277.10975 165.9
[M]- 277.11085 165.9
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

patents stripe