CID 389483

Agehoustin a

Structural Information

Molecular Formula
C23H26O10
SMILES
COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C23H26O10/c1-25-14-9-11(16(26-2)20(29-5)17(14)27-3)13-10-12(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-13/h9-10H,1-8H3
InChIKey
FQTCPUGUEKKPCH-UHFFFAOYSA-N
Compound name
5,6,7,8-tetramethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

462.1526 Da
Monoisotopic Mass

3.0
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

patents stripe