CID 118797928

4-hydroxy-2-methyl-3-oxo-4-farnesyl-3,4-dihydroquinoline-1-oxide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

395.24603 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 201.3
[M+Na]+ 418.23525 205.8
[M-H]- 394.23875 200.6
[M+NH4]+ 413.27985 212.9
[M+K]+ 434.20919 194.4
[M+H-H2O]+ 378.24329 199.1
[M+HCOO]- 440.24423 213.4
[M+CH3COO]- 454.25988 214.0
[M+Na-2H]- 416.22070 199.6
[M]+ 395.24548 200.2
[M]- 395.24658 200.2
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.