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

1
Patents

332.21 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 182.5
[M+Na]+ 355.19922 186.9
[M-H]- 331.20272 183.2
[M+NH4]+ 350.24382 195.3
[M+K]+ 371.17316 182.9
[M+H-H2O]+ 315.20726 175.1
[M+HCOO]- 377.20820 197.2
[M+CH3COO]- 391.22385 213.4
[M+Na-2H]- 353.18467 184.4
[M]+ 332.20945 182.7
[M]- 332.21055 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.