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 182.9
[M+Na]+ 361.18865 187.0
[M-H]- 337.19215 188.0
[M+NH4]+ 356.23325 195.4
[M+K]+ 377.16259 182.7
[M+H-H2O]+ 321.19669 173.2
[M+HCOO]- 383.19763 199.9
[M+CH3COO]- 397.21328 217.4
[M+Na-2H]- 359.17410 184.4
[M]+ 338.19888 182.0
[M]- 338.19998 182.0
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.