CID 28507

5-cyanoindolyl-3-phenylketone

Structural Information

Molecular Formula
C16H10N2O
SMILES
C1=CC=C(C=C1)C(=O)C2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C16H10N2O/c17-9-11-6-7-15-13(8-11)14(10-18-15)16(19)12-4-2-1-3-5-12/h1-8,10,18H
InChIKey
VDSVHHGVSMIFOY-UHFFFAOYSA-N
Compound name
3-benzoyl-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07932 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08660 162.5
[M+Na]+ 269.06854 174.4
[M-H]- 245.07204 166.3
[M+NH4]+ 264.11314 178.3
[M+K]+ 285.04248 165.6
[M+H-H2O]+ 229.07658 148.2
[M+HCOO]- 291.07752 180.8
[M+CH3COO]- 305.09317 173.1
[M+Na-2H]- 267.05399 166.4
[M]+ 246.07877 157.2
[M]- 246.07987 157.2
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.