CID 25211155

Chembl478857

Structural Information

Molecular Formula
C19H19NO6
SMILES
COC1=C(C2=C(C=C1)C(=CN2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C19H19NO6/c1-23-13-6-5-11-12(9-20-16(11)18(13)22)17(21)10-7-14(24-2)19(26-4)15(8-10)25-3/h5-9,20,22H,1-4H3
InChIKey
FEYUTHKUCJCUAD-UHFFFAOYSA-N
Compound name
(7-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

357.12125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 180.6
[M+Na]+ 380.11047 190.5
[M-H]- 356.11397 185.9
[M+NH4]+ 375.15507 194.0
[M+K]+ 396.08441 187.3
[M+H-H2O]+ 340.11851 172.8
[M+HCOO]- 402.11945 200.9
[M+CH3COO]- 416.13510 212.1
[M+Na-2H]- 378.09592 181.5
[M]+ 357.12070 188.8
[M]- 357.12180 188.8
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.