CID 496090

Nsc679014

Structural Information

Molecular Formula
C21H24O5
SMILES
CC1C(OC2=CC(=C3C4=C(CCCC4)C(=O)OC3=C2C1=O)OC(C)C)C
InChI
InChI=1S/C21H24O5/c1-10(2)24-15-9-16-18(19(22)11(3)12(4)25-16)20-17(15)13-7-5-6-8-14(13)21(23)26-20/h9-12H,5-8H2,1-4H3
InChIKey
SNVUVPSQZHIWHY-UHFFFAOYSA-N
Compound name
2,3-dimethyl-11-propan-2-yloxy-2,3,7,8,9,10-hexahydroisochromeno[3,4-f]chromene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 182.2
[M+Na]+ 379.15160 190.5
[M-H]- 355.15510 189.6
[M+NH4]+ 374.19620 195.9
[M+K]+ 395.12554 189.2
[M+H-H2O]+ 339.15964 174.2
[M+HCOO]- 401.16058 194.1
[M+CH3COO]- 415.17623 221.2
[M+Na-2H]- 377.13705 184.8
[M]+ 356.16183 185.6
[M]- 356.16293 185.6
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.