CID 25188767

Aurachin re

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1O)C/C=C(\C)/CC/C=C(\C)/CC(C=C(C)C)O
InChI
InChI=1S/C25H33NO3/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26(29)24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27,29H,8-9,14,16H2,1-5H3/b18-13+,19-10+
InChIKey
CHMBGHGLJJOOSO-VAKGXLRMSA-N
Compound name
1-hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

395.24603 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 200.6
[M+Na]+ 418.23525 210.8
[M+NH4]+ 413.27985 204.6
[M+K]+ 434.20919 204.6
[M-H]- 394.23875 199.7
[M+Na-2H]- 416.22070 201.0
[M]+ 395.24548 201.4
[M]- 395.24658 201.4
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

No patent data available for this compound.