CID 10449104

Chembl365299

Structural Information

Molecular Formula
C18H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CNC3=C2C=CC(=C3)O
InChI
InChI=1S/C18H17NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-19-14-8-11(20)4-5-12(13)14/h4-9,19-20H,1-3H3
InChIKey
FWYFKYJHENUGSZ-UHFFFAOYSA-N
Compound name
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

327.1107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 173.5
[M+Na]+ 350.09992 183.4
[M-H]- 326.10342 178.7
[M+NH4]+ 345.14452 188.0
[M+K]+ 366.07386 179.4
[M+H-H2O]+ 310.10796 165.9
[M+HCOO]- 372.10890 194.1
[M+CH3COO]- 386.12455 205.6
[M+Na-2H]- 348.08537 175.5
[M]+ 327.11015 179.5
[M]- 327.11125 179.5
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

No patent data available for this compound.