CID 753230

N-benzyl-2-(1h-indol-3-yl)acetamide

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1=CC=C(C=C1)CNC(=O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H16N2O/c20-17(19-11-13-6-2-1-3-7-13)10-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,18H,10-11H2,(H,19,20)
InChIKey
YFISMSIEWANYHE-UHFFFAOYSA-N
Compound name
N-benzyl-2-(1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

264.12625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 175.4
[M+NH4]+ 282.16007 170.2
[M+K]+ 303.08941 168.9
[M-H]- 263.11897 166.1
[M+Na-2H]- 285.10092 170.4
[M]+ 264.12570 164.8
[M]- 264.12680 164.8
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

patents stripe