CID 443441

2-heptyl-3-hydroxyquinolin-4(1h)-one

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCCCCCC1=NC2=CC=CC=C2C(=O)C1O
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/h7-10,16,19H,2-6,11H2,1H3
InChIKey
IRNQEHWHRAZAPL-UHFFFAOYSA-N
Compound name
2-heptyl-3-hydroxy-3H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

259.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.7
[M+Na]+ 282.14645 169.0
[M-H]- 258.14995 163.0
[M+NH4]+ 277.19105 178.0
[M+K]+ 298.12039 164.3
[M+H-H2O]+ 242.15449 154.3
[M+HCOO]- 304.15543 180.1
[M+CH3COO]- 318.17108 196.9
[M+Na-2H]- 280.13190 165.8
[M]+ 259.15668 163.3
[M]- 259.15778 163.3
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