CID 6124753

Aurachin d

Structural Information

Molecular Formula
C25H33NO
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16+
InChIKey
JHMLNOXMSHURLQ-YEFHWUCQSA-N
Compound name
2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

40
Patents

363.25623 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26351 195.2
[M+Na]+ 386.24545 206.9
[M+NH4]+ 381.29005 200.9
[M+K]+ 402.21939 198.2
[M-H]- 362.24895 195.9
[M+Na-2H]- 384.23090 197.6
[M]+ 363.25568 196.9
[M]- 363.25678 196.9
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

patents stripe