CID 14492795

Nimbaflavone

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)OC)C

InChI

InChI=1S/C26H30O5/c1-15(2)6-8-17-12-18(9-11-23(17)30-5)24-14-22(29)25-21(28)13-20(27)19(26(25)31-24)10-7-16(3)4/h6-7,9,11-13,24,27-28H,8,10,14H2,1-5H3

InChIKey

UJHSMBNEFBESCZ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 5
Patents: 422.20932 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]+	423.21660	204.9
[M+Na]+	445.19854	210.8
[M-H]-	421.20204	210.1
[M+NH4]+	440.24314	213.8
[M+K]+	461.17248	206.5
[M+H-H2O]+	405.20658	196.6
[M+HCOO]-	467.20752	217.3
[M+CH3COO]-	481.22317	229.3
[M+Na-2H]-	443.18399	200.6
[M]+	422.20877	207.4
[M]-	422.20987	207.4

Literature stripe

Patent stripe