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 197.7
[M+Na]+ 439.18395 201.2
[M-H]- 415.18745 199.0
[M+NH4]+ 434.22855 204.9
[M+K]+ 455.15789 197.1
[M+H-H2O]+ 399.19199 188.1
[M+HCOO]- 461.19293 211.4
[M+CH3COO]- 475.20858 224.3
[M+Na-2H]- 437.16940 198.0
[M]+ 416.19418 198.9
[M]- 416.19528 198.9
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