CID 42607877

Epoxycandidone

Structural Information

Molecular Formula
C22H24O5
SMILES
CC1(C(O1)CC2=C3C(=C(C=C2OC)OC)C(=O)CC(O3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H24O5/c1-22(2)19(27-22)10-14-17(24-3)12-18(25-4)20-15(23)11-16(26-21(14)20)13-8-6-5-7-9-13/h5-9,12,16,19H,10-11H2,1-4H3
InChIKey
DGYXPQJZXKXNTL-UHFFFAOYSA-N
Compound name
8-[(3,3-dimethyloxiran-2-yl)methyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 186.7
[M+Na]+ 391.15160 197.2
[M-H]- 367.15510 199.5
[M+NH4]+ 386.19620 195.3
[M+K]+ 407.12554 196.7
[M+H-H2O]+ 351.15964 178.3
[M+HCOO]- 413.16058 204.0
[M+CH3COO]- 427.17623 221.3
[M+Na-2H]- 389.13705 190.4
[M]+ 368.16183 195.9
[M]- 368.16293 195.9
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.