CID 3049542

8-allyloxy-5-(2-hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CC(C)(C)NCC(COC1=C2CCC(=O)NC2=C(C=C1)OCC=C)O
InChI
InChI=1S/C19H28N2O4/c1-5-10-24-16-8-7-15(14-6-9-17(23)21-18(14)16)25-12-13(22)11-20-19(2,3)4/h5,7-8,13,20,22H,1,6,9-12H2,2-4H3,(H,21,23)
InChIKey
ANMZUFYKZZFYKK-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.2049 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 184.4
[M+Na]+ 371.19412 192.4
[M+NH4]+ 366.23872 188.9
[M+K]+ 387.16806 187.8
[M-H]- 347.19762 183.4
[M+Na-2H]- 369.17957 185.3
[M]+ 348.20435 184.8
[M]- 348.20545 184.8
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

patents stripe