CID 3040188

5-(2-hydroxy-3-benzylamino)propoxy-3,4-dihydrocarbostyril hydrochloride

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCC(CNCC3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2O3/c22-15(12-20-11-14-5-2-1-3-6-14)13-24-18-8-4-7-17-16(18)9-10-19(23)21-17/h1-8,15,20,22H,9-13H2,(H,21,23)
InChIKey
YWEYIENJPPSSPO-UHFFFAOYSA-N
Compound name
5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.3
[M+Na]+ 349.15228 189.7
[M+NH4]+ 344.19688 185.1
[M+K]+ 365.12622 182.6
[M-H]- 325.15578 181.6
[M+Na-2H]- 347.13773 184.1
[M]+ 326.16251 180.6
[M]- 326.16361 180.6
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.