CID 44483351

Opc 2009

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCC(C(C1=CC=C(C2=NC(=O)C=CC12)O)O)NC(C)C
InChI
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-10,12,16-17,19,21H,4H2,1-3H3
InChIKey
RGKXRUNZWSGWDE-UHFFFAOYSA-N
Compound name
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-4aH-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

304
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.8
[M+Na]+ 313.15228 173.8
[M-H]- 289.15578 168.9
[M+NH4]+ 308.19688 182.5
[M+K]+ 329.12622 170.6
[M+H-H2O]+ 273.16032 161.7
[M+HCOO]- 335.16126 183.9
[M+CH3COO]- 349.17691 204.6
[M+Na-2H]- 311.13773 169.5
[M]+ 290.16251 167.6
[M]- 290.16361 167.6
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

No patent data available for this compound.