CID 42607936

Euchrenone a1

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3CC(=O)C4=C(O3)C5=C(C=C4O)OC(C=C5)(C)C)C
InChI
InChI=1S/C25H24O5/c1-24(2)9-7-15-11-14(5-6-19(15)29-24)20-12-17(26)22-18(27)13-21-16(23(22)28-20)8-10-25(3,4)30-21/h5-11,13,20,27H,12H2,1-4H3
InChIKey
SZOBYAPKYZKKGY-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylchromen-6-yl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.16238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 197.9
[M+Na]+ 427.15160 208.0
[M-H]- 403.15510 208.1
[M+NH4]+ 422.19620 211.2
[M+K]+ 443.12554 206.7
[M+H-H2O]+ 387.15964 187.4
[M+HCOO]- 449.16058 207.9
[M+CH3COO]- 463.17623 207.8
[M+Na-2H]- 425.13705 203.3
[M]+ 404.16183 200.9
[M]- 404.16293 200.9
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