CID 58917

Hydroxymethyl 3-benzyl-2-indolyl ketone

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C(C=C1)CC2=C(NC3=CC=CC=C32)C(=O)CO
InChI
InChI=1S/C17H15NO2/c19-11-16(20)17-14(10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)18-17/h1-9,18-19H,10-11H2
InChIKey
MTKAVWYAZVKRCN-UHFFFAOYSA-N
Compound name
1-(3-benzyl-1H-indol-2-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.117576 160.2
[M+Na]+ 288.099518 168.6
[M-H]- 264.103024 164.4
[M+NH4]+ 283.144123 176.7
[M+K]+ 304.073458 162.4
[M+H-H2O]+ 248.107560 152.8
[M+HCOO]- 310.108501 180.9
[M+CH3COO]- 324.124151 171.8
[M+Na-2H]- 286.084966 164.5
[M]+ 265.10975142 160.4
[M]- 265.11084858 160.4
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.