CID 233390

6320-37-2

Structural Information

Molecular Formula
C21H18O8
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C21H18O8/c1-11(22)27-15-9-16(28-12(2)23)18-17(10-15)29-20(21(26-4)19(18)24)13-5-7-14(25-3)8-6-13/h5-10H,1-4H3
InChIKey
OXRCQEMNONCHMK-UHFFFAOYSA-N
Compound name
[5-acetyloxy-3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

398.10016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10744 187.8
[M+Na]+ 421.08938 197.2
[M-H]- 397.09288 197.2
[M+NH4]+ 416.13398 198.7
[M+K]+ 437.06332 197.6
[M+H-H2O]+ 381.09742 178.6
[M+HCOO]- 443.09836 208.4
[M+CH3COO]- 457.11401 223.7
[M+Na-2H]- 419.07483 190.2
[M]+ 398.09961 198.9
[M]- 398.10071 198.9
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

No patent data available for this compound.