CID 217365

1-benzyl-3-hydroxyacetylindole

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]+ 266.11758 160.1
[M+Na]+ 288.09952 169.0
[M-H]- 264.10302 165.7
[M+NH4]+ 283.14412 177.4
[M+K]+ 304.07346 163.7
[M+H-H2O]+ 248.10756 152.4
[M+HCOO]- 310.10850 182.3
[M+CH3COO]- 324.12415 172.4
[M+Na-2H]- 286.08497 164.8
[M]+ 265.10975 162.2
[M]- 265.11085 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.