CID 252139

2436-15-9

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC#N
InChI
InChI=1S/C17H14N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2
InChIKey
ADPRFNVFBYHCJQ-UHFFFAOYSA-N
Compound name
2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

262.11063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 164.0
[M+Na]+ 285.09985 178.5
[M+NH4]+ 280.14445 169.3
[M+K]+ 301.07379 168.0
[M-H]- 261.10335 160.6
[M+Na-2H]- 283.08530 169.7
[M]+ 262.11008 164.4
[M]- 262.11118 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe