CID 118796925

3-farnesyl-3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC1=[N+](C2=CC=CC=C2C(=O)C1(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)[O-]
InChI
InChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25(28)21(5)26(29)23-15-7-6-14-22(23)24(25)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKey
HZBJGDKEAJESLM-YEFHWUCQSA-N
Compound name
3-hydroxy-2-methyl-1-oxido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

395.24603 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 201.2
[M+Na]+ 418.23525 212.9
[M+NH4]+ 413.27985 207.5
[M+K]+ 434.20919 205.7
[M-H]- 394.23875 201.8
[M+Na-2H]- 416.22070 203.1
[M]+ 395.24548 202.9
[M]- 395.24658 202.9
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.