CID 3057195

73973-01-0

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C17H13NO2/c1-10-15(13-8-4-5-9-14(13)18-10)16-11-6-2-3-7-12(11)17(19)20-16/h2-9,16,18H,1H3
InChIKey
DCDJMTJURABFMR-UHFFFAOYSA-N
Compound name
3-(2-methyl-1H-indol-3-yl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

263.09464 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 157.7
[M+Na]+ 286.08386 169.3
[M-H]- 262.08736 165.9
[M+NH4]+ 281.12846 177.2
[M+K]+ 302.05780 164.3
[M+H-H2O]+ 246.09190 151.8
[M+HCOO]- 308.09284 179.2
[M+CH3COO]- 322.10849 171.4
[M+Na-2H]- 284.06931 161.7
[M]+ 263.09409 160.2
[M]- 263.09519 160.2
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