CID 3049544

8-hydroxy-5-(2-hydroxy-3-(beta-3,4-dimethoxyphenethylamino))propoxy-3,4-dihydrocarbostyril hcl

Structural Information

Molecular Formula
C22H28N2O6
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=C3CCC(=O)NC3=C(C=C2)O)O)OC
InChI
InChI=1S/C22H28N2O6/c1-28-19-6-3-14(11-20(19)29-2)9-10-23-12-15(25)13-30-18-7-5-17(26)22-16(18)4-8-21(27)24-22/h3,5-7,11,15,23,25-26H,4,8-10,12-13H2,1-2H3,(H,24,27)
InChIKey
CHTDYLDTHBWBFD-UHFFFAOYSA-N
Compound name
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

416.19473 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 200.5
[M+Na]+ 439.18395 210.3
[M+NH4]+ 434.22855 204.6
[M+K]+ 455.15789 205.1
[M-H]- 415.18745 201.8
[M+Na-2H]- 437.16940 202.9
[M]+ 416.19418 201.8
[M]- 416.19528 201.8
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

patents stripe