CID 28508

5-cyano-3-(phenylacetyl) indole

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1=CC=C(C=C1)CC(=O)C2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C17H12N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,19H,9H2
InChIKey
CQBGCMKFYSUZPJ-UHFFFAOYSA-N
Compound name
3-(2-phenylacetyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09497 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 163.4
[M+Na]+ 283.08419 177.6
[M+NH4]+ 278.12879 168.4
[M+K]+ 299.05813 167.8
[M-H]- 259.08769 159.6
[M+Na-2H]- 281.06964 168.7
[M]+ 260.09442 163.6
[M]- 260.09552 163.6
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.