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

3
Patents

404.16238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.169656 197.9
[M+Na]+ 427.151598 208.0
[M-H]- 403.155104 208.1
[M+NH4]+ 422.196203 211.2
[M+K]+ 443.125538 206.7
[M+H-H2O]+ 387.159640 187.4
[M+HCOO]- 449.160581 207.9
[M+CH3COO]- 463.176231 207.8
[M+Na-2H]- 425.137046 203.3
[M]+ 404.16183142 200.9
[M]- 404.16292858 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