CID 6439171

Aurachin c

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)C2=CC=CC=C2N1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+

InChIKey

FIHXCHBEHLCXEG-YEFHWUCQSA-N

Compound name

1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one

Related CIDs

2D Structure

2
Annotation Hits: 12
References: 4
Patents: 379.25113 Da
Monoisotopic Mass: 7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.25841	197.2
[M+Na]+	402.24035	202.7
[M-H]-	378.24385	198.0
[M+NH4]+	397.28495	208.7
[M+K]+	418.21429	195.6
[M+H-H2O]+	362.24839	189.2
[M+HCOO]-	424.24933	211.5
[M+CH3COO]-	438.26498	223.1
[M+Na-2H]-	400.22580	193.4
[M]+	379.25058	199.7
[M]-	379.25168	199.7

Literature stripe

Patent stripe