CID 496278

Nsc684416

Structural Information

Molecular Formula
C21H26O6
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)COC)OC(C(C3=O)C)C
InChI
InChI=1S/C21H26O6/c1-6-7-14-8-17(22)27-21-18(14)15(25-11(2)10-24-5)9-16-19(21)20(23)12(3)13(4)26-16/h8-9,11-13H,6-7,10H2,1-5H3
InChIKey
UXDAUUHWIZZSPC-UHFFFAOYSA-N
Compound name
5-(1-methoxypropan-2-yloxy)-8,9-dimethyl-4-propyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.17294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 188.2
[M+Na]+ 397.16216 197.1
[M-H]- 373.16566 195.2
[M+NH4]+ 392.20676 200.6
[M+K]+ 413.13610 196.8
[M+H-H2O]+ 357.17020 180.4
[M+HCOO]- 419.17114 203.6
[M+CH3COO]- 433.18679 224.5
[M+Na-2H]- 395.14761 190.1
[M]+ 374.17239 197.5
[M]- 374.17349 197.5
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.