CID 44257641

Fulvinervin b

Structural Information

Molecular Formula
C25H22O4
SMILES
CC(=C)/C=C/C1=C2C(=C3C(=C1O)C(=O)C=C(O3)C4=CC=CC=C4)C=CC(O2)(C)C
InChI
InChI=1S/C25H22O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-14,27H,1H2,2-4H3/b11-10+
InChIKey
JJVHZBYZKZAVDJ-ZHACJKMWSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-2-phenylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1518 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15908 194.4
[M+Na]+ 409.14102 204.5
[M-H]- 385.14452 203.5
[M+NH4]+ 404.18562 207.0
[M+K]+ 425.11496 200.4
[M+H-H2O]+ 369.14906 185.3
[M+HCOO]- 431.15000 209.6
[M+CH3COO]- 445.16565 204.9
[M+Na-2H]- 407.12647 198.0
[M]+ 386.15125 198.1
[M]- 386.15235 198.1
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.