CID 5316801

Dmdbp

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC3=C(C(=C2)O)OC(C=C3)(C)C)O)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+
InChIKey
DYPJOHFWCNIBKZ-RMKNXTFCSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

406.178 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 199.3
[M+Na]+ 429.16722 206.5
[M-H]- 405.17072 203.8
[M+NH4]+ 424.21182 210.1
[M+K]+ 445.14116 201.8
[M+H-H2O]+ 389.17526 191.9
[M+HCOO]- 451.17620 212.1
[M+CH3COO]- 465.19185 222.0
[M+Na-2H]- 427.15267 198.1
[M]+ 406.17745 201.2
[M]- 406.17855 201.2
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