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

6
Patents

326.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 175.5
[M+Na]+ 349.152278 178.9
[M-H]- 325.155784 177.8
[M+NH4]+ 344.196883 186.7
[M+K]+ 365.126218 173.5
[M+H-H2O]+ 309.160320 166.3
[M+HCOO]- 371.161261 191.5
[M+CH3COO]- 385.176911 206.8
[M+Na-2H]- 347.137726 179.4
[M]+ 326.16251142 172.0
[M]- 326.16360858 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.