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

12
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

literature stripe

Patent stripe

patents stripe