CID 14284690

Euchrenone a4

Structural Information

Molecular Formula
C30H34O5
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC4=C(C=C3)OC(C=C4)(C)C)CC=C(C)C)O)C
InChI
InChI=1S/C30H34O5/c1-17(2)7-10-21-27(32)22(11-8-18(3)4)29-26(28(21)33)23(31)16-25(34-29)19-9-12-24-20(15-19)13-14-30(5,6)35-24/h7-9,12-15,25,32-33H,10-11,16H2,1-6H3
InChIKey
RPCILRXZRGPPAQ-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.24063 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24791 220.7
[M+Na]+ 497.22985 227.1
[M-H]- 473.23335 227.1
[M+NH4]+ 492.27445 229.0
[M+K]+ 513.20379 223.4
[M+H-H2O]+ 457.23789 211.8
[M+HCOO]- 519.23883 228.6
[M+CH3COO]- 533.25448 240.9
[M+Na-2H]- 495.21530 217.4
[M]+ 474.24008 223.1
[M]- 474.24118 223.1
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.