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

44
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 162.7
[M+Na]+ 300.09952 175.1
[M-H]- 276.10302 172.3
[M+NH4]+ 295.14412 182.6
[M+K]+ 316.07346 170.7
[M+H-H2O]+ 260.10756 156.4
[M+HCOO]- 322.10850 185.2
[M+CH3COO]- 336.12415 176.8
[M+Na-2H]- 298.08497 165.7
[M]+ 277.10975 167.6
[M]- 277.11085 167.6
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