CID 340131

Purpurascenin

Structural Information

Molecular Formula
C23H26O10
SMILES
COC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C23H26O10/c1-25-12-10-14(27-3)13(26-2)9-11(12)17-20(29-5)16(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-17/h9-10H,1-8H3
InChIKey
DWKFMLSGCLXYER-UHFFFAOYSA-N
Compound name
3,5,6,7,8-pentamethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15988 204.2
[M+Na]+ 485.14182 215.0
[M-H]- 461.14532 214.3
[M+NH4]+ 480.18642 213.3
[M+K]+ 501.11576 217.4
[M+H-H2O]+ 445.14986 194.0
[M+HCOO]- 507.15080 225.5
[M+CH3COO]- 521.16645 240.3
[M+Na-2H]- 483.12727 205.4
[M]+ 462.15205 223.1
[M]- 462.15315 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

literature stripe

Patent stripe

No patent data available for this compound.