CID 3059193

76211-86-4

Structural Information

Molecular Formula
C24H31N3O6
SMILES
CC(=O)NC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)CCC(=O)N2
InChI
InChI=1S/C24H31N3O6/c1-15(28)26-19-6-8-20(18-5-9-23(30)27-24(18)19)33-14-17(29)13-25-11-10-16-4-7-21(31-2)22(12-16)32-3/h4,6-8,12,17,25,29H,5,9-11,13-14H2,1-3H3,(H,26,28)(H,27,30)
InChIKey
PCHFJBDKYZCARG-UHFFFAOYSA-N
Compound name
N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

457.22128 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.22856 210.6
[M+Na]+ 480.21050 218.9
[M+NH4]+ 475.25510 213.8
[M+K]+ 496.18444 214.2
[M-H]- 456.21400 212.1
[M+Na-2H]- 478.19595 212.4
[M]+ 457.22073 211.6
[M]- 457.22183 211.6
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