CID 135687114

6-hexyl-4-hydroxy-3-(4-methoxybenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25NO4/c1-3-4-5-6-7-15-8-13-19-18(14-15)22(26)20(23(27)24-19)21(25)16-9-11-17(28-2)12-10-16/h8-14H,3-7H2,1-2H3,(H2,24,26,27)
InChIKey
PQNARKNAJNNAOI-UHFFFAOYSA-N
Compound name
6-hexyl-4-hydroxy-3-(4-methoxybenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 192.5
[M+Na]+ 402.16756 199.7
[M-H]- 378.17106 196.0
[M+NH4]+ 397.21216 202.7
[M+K]+ 418.14150 193.4
[M+H-H2O]+ 362.17560 183.0
[M+HCOO]- 424.17654 209.0
[M+CH3COO]- 438.19219 218.1
[M+Na-2H]- 400.15301 193.2
[M]+ 379.17779 195.7
[M]- 379.17889 195.7
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.