CID 122706081

Aurachin b epoxide

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC1=[N+](C2=CC=CC=C2C(=C1O)CC3C(O3)(C)CC/C=C(\C)/CCC=C(C)C)[O-]
InChI
InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5)23(29-25)16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)27/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+
InChIKey
BXVJMAHFHWAYHD-LDADJPATSA-N
Compound name
4-[[3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]methyl]-2-methyl-1-oxidoquinolin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

395.24603 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 200.1
[M+Na]+ 418.23525 215.5
[M+NH4]+ 413.27985 208.4
[M+K]+ 434.20919 209.3
[M-H]- 394.23875 211.6
[M+Na-2H]- 416.22070 206.4
[M]+ 395.24548 206.9
[M]- 395.24658 206.9
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.