CID 17051

6-benzyloxy-5-methoxyindole

Structural Information

Molecular Formula
C16H15NO2
SMILES
COC1=C(C=C2C(=C1)C=CN2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKey
YPRAMYRRNNYGSE-UHFFFAOYSA-N
Compound name
5-methoxy-6-phenylmethoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

253.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.9
[M+Na]+ 276.09950 172.4
[M+NH4]+ 271.14410 166.0
[M+K]+ 292.07344 165.7
[M-H]- 252.10300 161.2
[M+Na-2H]- 274.08495 166.1
[M]+ 253.10973 160.5
[M]- 253.11083 160.5
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

patents stripe