CID 124688

8-hydroxycarteolol

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C)(C)NCC(COC1=C2CCC(=O)NC2=C(C=C1)O)O
InChI
InChI=1S/C16H24N2O4/c1-16(2,3)17-8-10(19)9-22-13-6-5-12(20)15-11(13)4-7-14(21)18-15/h5-6,10,17,19-20H,4,7-9H2,1-3H3,(H,18,21)
InChIKey
TVZJLAKRXHGVOK-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

308.1736 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 173.4
[M+Na]+ 331.16282 177.7
[M-H]- 307.16632 171.8
[M+NH4]+ 326.20742 185.7
[M+K]+ 347.13676 174.1
[M+H-H2O]+ 291.17086 166.8
[M+HCOO]- 353.17180 186.0
[M+CH3COO]- 367.18745 202.9
[M+Na-2H]- 329.14827 176.1
[M]+ 308.17305 171.0
[M]- 308.17415 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe