CID 34059

Kotanin

Structural Information

Molecular Formula
C24H22O8
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC
InChI
InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3
InChIKey
CSJOUDOXDHMIAH-UHFFFAOYSA-N
Compound name
8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-4,7-dimethoxy-5-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

109
Patents

438.13147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13875 203.9
[M+Na]+ 461.12069 217.5
[M-H]- 437.12419 216.2
[M+NH4]+ 456.16529 213.6
[M+K]+ 477.09463 218.0
[M+H-H2O]+ 421.12873 193.3
[M+HCOO]- 483.12967 224.5
[M+CH3COO]- 497.14532 236.4
[M+Na-2H]- 459.10614 207.8
[M]+ 438.13092 219.9
[M]- 438.13202 219.9
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