CID 44257338

Glabrescione b

Structural Information

Molecular Formula
C27H30O6
SMILES
CC(=CCOC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC)OCC=C(C)C)C
InChI
InChI=1S/C27H30O6/c1-17(2)9-11-31-22-8-7-19(13-23(22)32-12-10-18(3)4)21-16-33-25-15-20(29-5)14-24(30-6)26(25)27(21)28/h7-10,13-16H,11-12H2,1-6H3
InChIKey
RHXDATRKLOYVTC-UHFFFAOYSA-N
Compound name
3-[3,4-bis(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

450.20422 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21150 211.2
[M+Na]+ 473.19344 218.4
[M-H]- 449.19694 219.4
[M+NH4]+ 468.23804 220.0
[M+K]+ 489.16738 215.8
[M+H-H2O]+ 433.20148 201.2
[M+HCOO]- 495.20242 229.3
[M+CH3COO]- 509.21807 236.6
[M+Na-2H]- 471.17889 209.8
[M]+ 450.20367 221.3
[M]- 450.20477 221.3
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