CID 54719990

3-(3-cyclohexylpropyl)-6-methoxy-2,4-quinolinediol

Structural Information

Molecular Formula
C19H25NO3
SMILES
COC1=CC2=C(C=C1)NC(=O)C(=C2O)CCCC3CCCCC3
InChI
InChI=1S/C19H25NO3/c1-23-14-10-11-17-16(12-14)18(21)15(19(22)20-17)9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3,(H2,20,21,22)
InChIKey
KASDTPUVYOYKHU-UHFFFAOYSA-N
Compound name
3-(3-cyclohexylpropyl)-4-hydroxy-6-methoxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 175.6
[M+Na]+ 338.17266 181.1
[M-H]- 314.17616 178.3
[M+NH4]+ 333.21726 188.4
[M+K]+ 354.14660 175.3
[M+H-H2O]+ 298.18070 167.0
[M+HCOO]- 360.18164 190.0
[M+CH3COO]- 374.19729 203.7
[M+Na-2H]- 336.15811 177.4
[M]+ 315.18289 172.8
[M]- 315.18399 172.8
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.