CID 496256

Nsc683579

Structural Information

Molecular Formula
C19H22O5
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OCC)OC(C(C3=O)C)C
InChI
InChI=1S/C19H22O5/c1-5-7-12-8-15(20)24-19-16(12)13(22-6-2)9-14-17(19)18(21)10(3)11(4)23-14/h8-11H,5-7H2,1-4H3
InChIKey
TWSXOCHKAAQVIP-UHFFFAOYSA-N
Compound name
5-ethoxy-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

330.14673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.154006 175.9
[M+Na]+ 353.135948 186.4
[M-H]- 329.139454 183.4
[M+NH4]+ 348.180553 190.4
[M+K]+ 369.109888 185.2
[M+H-H2O]+ 313.143990 168.6
[M+HCOO]- 375.144931 193.0
[M+CH3COO]- 389.160581 215.3
[M+Na-2H]- 351.121396 179.9
[M]+ 330.14618142 183.7
[M]- 330.14727858 183.7
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.