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 185.3
[M+Na]+ 371.19412 189.0
[M-H]- 347.19762 184.5
[M+NH4]+ 366.23872 196.5
[M+K]+ 387.16806 184.9
[M+H-H2O]+ 331.20216 177.9
[M+HCOO]- 393.20310 198.6
[M+CH3COO]- 407.21875 213.3
[M+Na-2H]- 369.17957 187.0
[M]+ 348.20435 185.0
[M]- 348.20545 185.0
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

patents stripe