CID 68850

65008-94-8

Structural Information

Molecular Formula
C25H32N2O7
SMILES
CC(=O)COC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)CCC(=O)N2
InChI
InChI=1S/C25H32N2O7/c1-16(28)14-33-22-8-7-20(19-5-9-24(30)27-25(19)22)34-15-18(29)13-26-11-10-17-4-6-21(31-2)23(12-17)32-3/h4,6-8,12,18,26,29H,5,9-11,13-15H2,1-3H3,(H,27,30)
InChIKey
IXJJPGSXJXQFGI-UHFFFAOYSA-N
Compound name
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

58
Patents

472.22095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22823 214.0
[M+Na]+ 495.21017 222.7
[M+NH4]+ 490.25477 216.8
[M+K]+ 511.18411 218.0
[M-H]- 471.21367 214.7
[M+Na-2H]- 493.19562 215.4
[M]+ 472.22040 214.9
[M]- 472.22150 214.9
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

patents stripe