CID 154699494

Ns00117259

Structural Information

Molecular Formula
C17H15NO5
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)C2=CNC3=C2C=CC(=C3)O
InChI
InChI=1S/C17H15NO5/c1-22-15-6-9(5-14(20)17(15)23-2)16(21)12-8-18-13-7-10(19)3-4-11(12)13/h3-8,18-20H,1-2H3
InChIKey
AWOJHOZYTSBGDR-UHFFFAOYSA-N
Compound name
(3-hydroxy-4,5-dimethoxyphenyl)-(6-hydroxy-1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09503 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 171.0
[M+Na]+ 336.08425 184.4
[M+NH4]+ 331.12885 177.0
[M+K]+ 352.05819 181.1
[M-H]- 312.08775 172.5
[M+Na-2H]- 334.06970 176.1
[M]+ 313.09448 173.2
[M]- 313.09558 173.2
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

No patent data available for this compound.