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 175.5
[M+Na]+ 349.15228 178.9
[M-H]- 325.15578 177.8
[M+NH4]+ 344.19688 186.7
[M+K]+ 365.12622 173.5
[M+H-H2O]+ 309.16032 166.3
[M+HCOO]- 371.16126 191.5
[M+CH3COO]- 385.17691 206.8
[M+Na-2H]- 347.13773 179.4
[M]+ 326.16251 172.0
[M]- 326.16361 172.0
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.