CID 13914992

Agehoustin c

Structural Information

Molecular Formula
C22H24O10
SMILES
COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)O)OC
InChI
InChI=1S/C22H24O10/c1-25-13-8-10(16(26-2)15(24)17(13)27-3)12-9-11(23)14-18(28-4)20(29-5)22(31-7)21(30-6)19(14)32-12/h8-9,24H,1-7H3
InChIKey
KRJLTJWSTDCFMW-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13693 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 200.2
[M+Na]+ 471.12615 211.0
[M-H]- 447.12965 209.1
[M+NH4]+ 466.17075 209.1
[M+K]+ 487.10009 212.8
[M+H-H2O]+ 431.13419 190.4
[M+HCOO]- 493.13513 220.3
[M+CH3COO]- 507.15078 235.4
[M+Na-2H]- 469.11160 201.5
[M]+ 448.13638 217.0
[M]- 448.13748 217.0
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.