CID 15719487

Glabrachromene i

Structural Information

Molecular Formula
C22H20O6
SMILES
CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)O)C
InChI
InChI=1S/C22H20O6/c1-22(2)9-8-14-17(28-22)11-19(25-3)20(21(14)24)15(23)6-4-13-5-7-16-18(10-13)27-12-26-16/h4-11,24H,12H2,1-3H3/b6-4+
InChIKey
RJYLDTKZVYKSBL-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

380.12598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 189.3
[M+Na]+ 403.11520 198.2
[M-H]- 379.11870 198.9
[M+NH4]+ 398.15980 202.3
[M+K]+ 419.08914 197.4
[M+H-H2O]+ 363.12324 182.6
[M+HCOO]- 425.12418 204.2
[M+CH3COO]- 439.13983 200.3
[M+Na-2H]- 401.10065 192.7
[M]+ 380.12543 195.4
[M]- 380.12653 195.4
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