CID 14583601

Ulexone b

Structural Information

Molecular Formula
C25H22O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C(=CC5=C4C=CC(O5)(C)C)O)C
InChI
InChI=1S/C25H22O5/c1-24(2)9-7-15-11-14(5-6-19(15)29-24)17-13-28-23-16-8-10-25(3,4)30-20(16)12-18(26)21(23)22(17)27/h5-13,26H,1-4H3
InChIKey
ACNNVOPYPNMOSB-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylchromen-6-yl)-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14673 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15401 197.5
[M+Na]+ 425.13595 209.5
[M-H]- 401.13945 208.6
[M+NH4]+ 420.18055 211.0
[M+K]+ 441.10989 208.1
[M+H-H2O]+ 385.14399 186.8
[M+HCOO]- 447.14493 210.3
[M+CH3COO]- 461.16058 208.4
[M+Na-2H]- 423.12140 204.6
[M]+ 402.14618 203.3
[M]- 402.14728 203.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.