CID 217365

38692-99-8

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)CO
InChI
InChI=1S/C17H15NO2/c19-12-17(20)15-11-18(10-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,11,19H,10,12H2
InChIKey
UABGNJZDPASNEW-UHFFFAOYSA-N
Compound name
1-(1-benzylindol-3-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.117576 160.1
[M+Na]+ 288.099518 169.0
[M-H]- 264.103024 165.7
[M+NH4]+ 283.144123 177.4
[M+K]+ 304.073458 163.7
[M+H-H2O]+ 248.107560 152.4
[M+HCOO]- 310.108501 182.3
[M+CH3COO]- 324.124151 172.4
[M+Na-2H]- 286.084966 164.8
[M]+ 265.10975142 162.2
[M]- 265.11084858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.