CID 90657799

Aurachin c epoxide

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC(=CCC/C(=C/CC/C(=C/CC12C(=O)C3=CC=CC=C3N(C1(O2)C)O)/C)/C)C
InChI
InChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKey
FORHHPRBEFTLRM-YEFHWUCQSA-N
Compound name
2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]oxireno[2,3-b]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

395.24603 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 198.3
[M+Na]+ 418.23525 209.9
[M+NH4]+ 413.27985 206.9
[M+K]+ 434.20919 201.1
[M-H]- 394.23875 206.4
[M+Na-2H]- 416.22070 203.1
[M]+ 395.24548 203.6
[M]- 395.24658 203.6
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.