CID 28509

1-((5-cyano)-3-indolyl)-2-phenyl ethanol

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]+ 263.11791 164.1
[M+Na]+ 285.09985 177.8
[M+NH4]+ 280.14445 169.0
[M+K]+ 301.07379 168.4
[M-H]- 261.10335 160.1
[M+Na-2H]- 283.08530 169.0
[M]+ 262.11008 164.2
[M]- 262.11118 164.2
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.