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]+ 263.11791 167.1
[M+Na]+ 285.09985 177.9
[M-H]- 261.10335 169.5
[M+NH4]+ 280.14445 181.8
[M+K]+ 301.07379 168.9
[M+H-H2O]+ 245.10789 152.9
[M+HCOO]- 307.10883 183.6
[M+CH3COO]- 321.12448 176.7
[M+Na-2H]- 283.08530 170.2
[M]+ 262.11008 161.1
[M]- 262.11118 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.