CID 5287281

Mls000121833

Structural Information

Molecular Formula
C21H22O7
SMILES
C/C=C(\C)/C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
InChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+
InChIKey
LYUZYPKZQDYMEE-IZZDOVSWSA-N
Compound name
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

386.13657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.143846 186.1
[M+Na]+ 409.125788 194.3
[M-H]- 385.129294 192.8
[M+NH4]+ 404.170393 199.3
[M+K]+ 425.099728 195.0
[M+H-H2O]+ 369.133830 179.1
[M+HCOO]- 431.134771 200.2
[M+CH3COO]- 445.150421 222.3
[M+Na-2H]- 407.111236 188.9
[M]+ 386.13602142 193.7
[M]- 386.13711858 193.7
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.