CID 496037

Nsc677098

Structural Information

Molecular Formula
C17H18O5
SMILES
CCC1=CC(=O)OC2=C3C(=CC(=C12)OC)OC(C(C3=O)C)C
InChI
InChI=1S/C17H18O5/c1-5-10-6-13(18)22-17-14(10)11(20-4)7-12-15(17)16(19)8(2)9(3)21-12/h6-9H,5H2,1-4H3
InChIKey
GJEUUJSKHOXREE-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-8,9-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 166.2
[M+Na]+ 325.10464 177.6
[M-H]- 301.10814 174.1
[M+NH4]+ 320.14924 181.9
[M+K]+ 341.07858 176.8
[M+H-H2O]+ 285.11268 159.3
[M+HCOO]- 347.11362 184.0
[M+CH3COO]- 361.12927 209.4
[M+Na-2H]- 323.09009 171.3
[M]+ 302.11487 173.4
[M]- 302.11597 173.4
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.