CID 14769500

Xambioona

Structural Information

Molecular Formula
C25H24O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3CC(=O)C4=C(O3)C5=C(C=C4)OC(C=C5)(C)C)C
InChI
InChI=1S/C25H24O4/c1-24(2)11-9-16-13-15(5-7-20(16)28-24)22-14-19(26)17-6-8-21-18(23(17)27-22)10-12-25(3,4)29-21/h5-13,22H,14H2,1-4H3
InChIKey
FGJUXFVUOCKRCY-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylchromen-6-yl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

388.16745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17473 194.3
[M+Na]+ 411.15667 204.1
[M-H]- 387.16017 205.4
[M+NH4]+ 406.20127 208.6
[M+K]+ 427.13061 202.6
[M+H-H2O]+ 371.16471 183.3
[M+HCOO]- 433.16565 205.7
[M+CH3COO]- 447.18130 204.6
[M+Na-2H]- 409.14212 200.2
[M]+ 388.16690 196.9
[M]- 388.16800 196.9
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

patents stripe