CID 3049951

1-allyl-5-(2-hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2CC=C)O
InChI
InChI=1S/C19H28N2O3/c1-5-11-21-16-7-6-8-17(15(16)9-10-18(21)23)24-13-14(22)12-20-19(2,3)4/h5-8,14,20,22H,1,9-13H2,2-4H3
InChIKey
AAYYVDGCPLMFLJ-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.21 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 182.5
[M+Na]+ 355.199218 186.9
[M-H]- 331.202724 183.2
[M+NH4]+ 350.243823 195.3
[M+K]+ 371.173158 182.9
[M+H-H2O]+ 315.207260 175.1
[M+HCOO]- 377.208201 197.2
[M+CH3COO]- 391.223851 213.4
[M+Na-2H]- 353.184666 184.4
[M]+ 332.20945142 182.7
[M]- 332.21054858 182.7
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.