CID 2763159

2-heptyl-3-hydroxy-4-quinolone

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)O
InChI
InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
InChIKey
CEIUIHOQDSVZJQ-UHFFFAOYSA-N
Compound name
2-heptyl-3-hydroxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

175
References

446
Patents

259.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.1
[M+Na]+ 282.14645 169.1
[M-H]- 258.14995 161.5
[M+NH4]+ 277.19105 176.9
[M+K]+ 298.12039 163.2
[M+H-H2O]+ 242.15449 154.1
[M+HCOO]- 304.15543 179.4
[M+CH3COO]- 318.17108 194.2
[M+Na-2H]- 280.13190 165.7
[M]+ 259.15668 162.4
[M]- 259.15778 162.4
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