CID 28509

17380-27-7

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)CC(C2=CNC3=C2C=C(C=C3)C#N)O
InChI
InChI=1S/C17H14N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,17,19-20H,9H2
InChIKey
FYFJYVULGPVOJY-UHFFFAOYSA-N
Compound name
3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 167.1
[M+Na]+ 285.099848 177.9
[M-H]- 261.103354 169.5
[M+NH4]+ 280.144453 181.8
[M+K]+ 301.073788 168.9
[M+H-H2O]+ 245.107890 152.9
[M+HCOO]- 307.108831 183.6
[M+CH3COO]- 321.124481 176.7
[M+Na-2H]- 283.085296 170.2
[M]+ 262.11008142 161.1
[M]- 262.11117858 161.1
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.