CID 11076248

2-(4-(benzyloxy)-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CC#N
InChI
InChI=1S/C17H14N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9,12H2
InChIKey
OCROQGOQZBRSBQ-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxy-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
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 164.5
[M+Na]+ 285.09985 176.1
[M-H]- 261.10335 168.0
[M+NH4]+ 280.14445 179.9
[M+K]+ 301.07379 167.2
[M+H-H2O]+ 245.10789 149.9
[M+HCOO]- 307.10883 183.4
[M+CH3COO]- 321.12448 174.9
[M+Na-2H]- 283.08530 169.2
[M]+ 262.11008 160.8
[M]- 262.11118 160.8
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.