CID 495668

Nsc666107

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1C(C2=C(O1)C3=C(C=CC=C3OC2=O)C)(C)CC4C=C(C(=O)O4)C
InChI
InChI=1S/C20H20O5/c1-10-6-5-7-14-15(10)17-16(19(22)25-14)20(4,12(3)23-17)9-13-8-11(2)18(21)24-13/h5-8,12-13H,9H2,1-4H3
InChIKey
FUFWOZXBFXQBAK-UHFFFAOYSA-N
Compound name
2,3,9-trimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]-2H-furo[3,2-c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 176.3
[M+Na]+ 363.12029 188.7
[M-H]- 339.12379 188.5
[M+NH4]+ 358.16489 194.5
[M+K]+ 379.09423 187.6
[M+H-H2O]+ 323.12833 172.5
[M+HCOO]- 385.12927 195.1
[M+CH3COO]- 399.14492 190.2
[M+Na-2H]- 361.10574 178.5
[M]+ 340.13052 184.6
[M]- 340.13162 184.6
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.