CID 259196

5-(benzyloxy)-1-methyl-1h-indole

Structural Information

Molecular Formula
C16H15NO
SMILES
CN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c1-17-10-9-14-11-15(7-8-16(14)17)18-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKey
JMFZKYABNMMQHH-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylmethoxyindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

161
Patents

237.11537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 152.9
[M+Na]+ 260.10459 169.5
[M+NH4]+ 255.14919 163.0
[M+K]+ 276.07853 162.0
[M-H]- 236.10809 158.3
[M+Na-2H]- 258.09004 163.2
[M]+ 237.11482 157.1
[M]- 237.11592 157.1
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