CID 3049605

65023-15-6

Structural Information

Molecular Formula
C25H30N2O6
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=C3CCC(=O)NC3=C(C=C2)OCC#C)O)OC
InChI
InChI=1S/C25H30N2O6/c1-4-13-32-22-9-8-20(19-6-10-24(29)27-25(19)22)33-16-18(28)15-26-12-11-17-5-7-21(30-2)23(14-17)31-3/h1,5,7-9,14,18,26,28H,6,10-13,15-16H2,2-3H3,(H,27,29)
InChIKey
IECHFDQQFHBVTC-UHFFFAOYSA-N
Compound name
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

454.2104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 209.7
[M+Na]+ 477.19962 219.3
[M+NH4]+ 472.24422 210.3
[M+K]+ 493.17356 210.1
[M-H]- 453.20312 203.1
[M+Na-2H]- 475.18507 208.8
[M]+ 454.20985 208.1
[M]- 454.21095 208.1
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