CID 44257637

Tephrorianin

Structural Information

Molecular Formula
C24H20O7
SMILES
CC(=O)OC(C)(C)/C=C\1/C2=C3C(=C(C=C2OC1=O)OC)C(=O)C=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C24H20O7/c1-13(25)31-24(2,3)12-15-20-19(30-23(15)27)11-18(28-4)21-16(26)10-17(29-22(20)21)14-8-6-5-7-9-14/h5-12H,1-4H3/b15-12-
InChIKey
SEEMOEHWVXEBAV-QINSGFPZSA-N
Compound name
[(1Z)-1-(5-methoxy-4,8-dioxo-2-phenylfuro[2,3-h]chromen-9-ylidene)-2-methylpropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1209 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12818 197.3
[M+Na]+ 443.11012 206.8
[M-H]- 419.11362 208.1
[M+NH4]+ 438.15472 208.8
[M+K]+ 459.08406 205.7
[M+H-H2O]+ 403.11816 190.3
[M+HCOO]- 465.11910 214.3
[M+CH3COO]- 479.13475 227.7
[M+Na-2H]- 441.09557 200.2
[M]+ 420.12035 206.1
[M]- 420.12145 206.1
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.