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 155.9
[M+Na]+ 276.09950 165.3
[M-H]- 252.10300 161.5
[M+NH4]+ 271.14410 173.8
[M+K]+ 292.07344 160.3
[M+H-H2O]+ 236.10754 148.2
[M+HCOO]- 298.10848 179.3
[M+CH3COO]- 312.12413 168.8
[M+Na-2H]- 274.08495 162.4
[M]+ 253.10973 158.9
[M]- 253.11083 158.9
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