CID 259196

N-methyl-5-benzyloxyindole

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

162
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 152.6
[M+Na]+ 260.10459 162.6
[M-H]- 236.10809 159.6
[M+NH4]+ 255.14919 172.0
[M+K]+ 276.07853 157.8
[M+H-H2O]+ 220.11263 144.7
[M+HCOO]- 282.11357 177.3
[M+CH3COO]- 296.12922 166.3
[M+Na-2H]- 258.09004 159.4
[M]+ 237.11482 156.0
[M]- 237.11592 156.0
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