CID 496084

Nsc678321

Structural Information

Molecular Formula
C21H24O7
SMILES
CCOC(=O)CC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)C)OC(C(C3=O)C)C
InChI
InChI=1S/C21H24O7/c1-6-25-16(22)7-13-8-17(23)28-21-18(13)14(26-10(2)3)9-15-19(21)20(24)11(4)12(5)27-15/h8-12H,6-7H2,1-5H3
InChIKey
OSUXFOZEIOFGIF-UHFFFAOYSA-N
Compound name
ethyl 2-(8,9-dimethyl-2,10-dioxo-5-propan-2-yloxy-8,9-dihydropyrano[2,3-h]chromen-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 188.7
[M+Na]+ 411.14142 197.5
[M-H]- 387.14492 195.8
[M+NH4]+ 406.18602 200.3
[M+K]+ 427.11536 197.9
[M+H-H2O]+ 371.14946 181.1
[M+HCOO]- 433.15040 203.6
[M+CH3COO]- 447.16605 226.5
[M+Na-2H]- 409.12687 189.9
[M]+ 388.15165 198.1
[M]- 388.15275 198.1
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.