CID 5274457

1-(4-methoxy-1-methyl-indol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione

Structural Information

Molecular Formula
C20H19NO4
SMILES
CN1C=CC2=C1C=CC(=C2OC)C(=O)CC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19NO4/c1-21-11-10-15-17(21)9-8-16(20(15)25-3)19(23)12-18(22)13-4-6-14(24-2)7-5-13/h4-11H,12H2,1-3H3
InChIKey
RNVKGDIGHYNFBW-UHFFFAOYSA-N
Compound name
1-(4-methoxy-1-methylindol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.6
[M+Na]+ 360.12062 187.8
[M-H]- 336.12412 185.8
[M+NH4]+ 355.16522 193.7
[M+K]+ 376.09456 184.1
[M+H-H2O]+ 320.12866 170.2
[M+HCOO]- 382.12960 200.6
[M+CH3COO]- 396.14525 212.8
[M+Na-2H]- 358.10607 179.7
[M]+ 337.13085 185.8
[M]- 337.13195 185.8
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.