CID 42607596

Epoxyobovatachalcone

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C2C(O2)C3=C(C(=C(C=C3O1)OC)C(=O)/C=C/C4=CC=CC=C4)O)C
InChI
InChI=1S/C21H20O5/c1-21(2)20-19(25-20)17-15(26-21)11-14(24-3)16(18(17)23)13(22)10-9-12-7-5-4-6-8-12/h4-11,19-20,23H,1-3H3/b10-9+
InChIKey
BMZJUVJQWXFIKC-MDZDMXLPSA-N
Compound name
(E)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 181.9
[M+Na]+ 375.12029 192.7
[M-H]- 351.12379 191.3
[M+NH4]+ 370.16489 191.4
[M+K]+ 391.09423 190.7
[M+H-H2O]+ 335.12833 174.5
[M+HCOO]- 397.12927 196.8
[M+CH3COO]- 411.14492 216.1
[M+Na-2H]- 373.10574 186.8
[M]+ 352.13052 190.0
[M]- 352.13162 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.