CID 58189

3,4-dihydro-7-hydroxy-1-(2-(methylphenethylamino)propyl)carbostyril oxalate

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC(CN1C(=O)CCC2=C1C=C(C=C2)O)N(C)CCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-16(22(2)13-12-17-6-4-3-5-7-17)15-23-20-14-19(24)10-8-18(20)9-11-21(23)25/h3-8,10,14,16,24H,9,11-13,15H2,1-2H3
InChIKey
FSNKTNQWRGZFLA-UHFFFAOYSA-N
Compound name
7-hydroxy-1-[2-[methyl(2-phenylethyl)amino]propyl]-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.2
[M+Na]+ 361.18865 195.8
[M+NH4]+ 356.23325 190.8
[M+K]+ 377.16259 188.1
[M-H]- 337.19215 187.8
[M+Na-2H]- 359.17410 189.6
[M]+ 338.19888 186.2
[M]- 338.19998 186.2
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

No patent data available for this compound.