CID 14539881

Kuwanol d

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O)/C)C

InChI

InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+

InChIKey

ARIUOJMONLRTJR-NNVJOTTFSA-N

Compound name

(E)-1-(2,4-dihydroxyphenyl)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]prop-2-en-1-one

Related CIDs

2D Structure

2
Annotation Hits: 0
References: 0
Patents: 408.19366 Da
Monoisotopic Mass: 6.6
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]+	409.20094	200.4
[M+Na]+	431.18288	204.9
[M-H]-	407.18638	201.4
[M+NH4]+	426.22748	208.5
[M+K]+	447.15682	198.2
[M+H-H2O]+	391.19092	192.9
[M+HCOO]-	453.19186	213.7
[M+CH3COO]-	467.20751	219.9
[M+Na-2H]-	429.16833	193.9
[M]+	408.19311	200.2
[M]-	408.19421	200.2

Literature stripe

Patent stripe