CID 3363314

84282-42-8

Structural Information

Molecular Formula
C25H24O11
SMILES
CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
InChI
InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3
InChIKey
BKYWAYNSDFXIPL-UHFFFAOYSA-N
Compound name
[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

500.13187 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.139146 207.6
[M+Na]+ 523.121088 212.1
[M-H]- 499.124594 215.4
[M+NH4]+ 518.165693 213.3
[M+K]+ 539.095028 215.5
[M+H-H2O]+ 483.129130 198.5
[M+HCOO]- 545.130071 221.8
[M+CH3COO]- 559.145721 242.8
[M+Na-2H]- 521.106536 204.3
[M]+ 500.13132142 218.3
[M]- 500.13241858 218.3
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