CID 58228

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

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC(CN1C(=O)CCC2=CC=CC=C21)N(C)CCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-17(22(2)15-14-18-8-4-3-5-9-18)16-23-20-11-7-6-10-19(20)12-13-21(23)24/h3-11,17H,12-16H2,1-2H3
InChIKey
NHRRUIHZWMCPIA-UHFFFAOYSA-N
Compound name
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

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.7
[M+Na]+ 345.19372 183.4
[M-H]- 321.19722 185.7
[M+NH4]+ 340.23832 193.3
[M+K]+ 361.16766 179.2
[M+H-H2O]+ 305.20176 169.6
[M+HCOO]- 367.20270 198.0
[M+CH3COO]- 381.21835 216.5
[M+Na-2H]- 343.17917 182.2
[M]+ 322.20395 178.8
[M]- 322.20505 178.8
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.