CID 40228

Brn 1475065

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)CO
InChI
InChI=1S/C17H15NO2/c19-12-17(20)16-10-14-8-4-5-9-15(14)18(16)11-13-6-2-1-3-7-13/h1-10,19H,11-12H2
InChIKey
REAMHPYHKWQERZ-UHFFFAOYSA-N
Compound name
1-(1-benzylindol-2-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.6
[M+Na]+ 288.09952 175.5
[M+NH4]+ 283.14412 169.1
[M+K]+ 304.07346 169.3
[M-H]- 264.10302 164.4
[M+Na-2H]- 286.08497 169.0
[M]+ 265.10975 163.8
[M]- 265.11085 163.8
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.