CID 5379651

Hormothamnione

Structural Information

Molecular Formula
C21H20O8
SMILES
CC1=C(OC2=C(C(=C(C(=C2C1=O)O)OC)OC)OC)/C=C/C3=CC(=CC(=C3)O)O
InChI
InChI=1S/C21H20O8/c1-10-14(6-5-11-7-12(22)9-13(23)8-11)29-18-15(16(10)24)17(25)19(26-2)21(28-4)20(18)27-3/h5-9,22-23,25H,1-4H3/b6-5+
InChIKey
OUTWDDOLLXVXMF-AATRIKPKSA-N
Compound name
2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxy-6,7,8-trimethoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

400.1158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12308 191.3
[M+Na]+ 423.10502 202.0
[M-H]- 399.10852 197.5
[M+NH4]+ 418.14962 201.0
[M+K]+ 439.07896 199.9
[M+H-H2O]+ 383.11306 182.9
[M+HCOO]- 445.11400 208.9
[M+CH3COO]- 459.12965 221.2
[M+Na-2H]- 421.09047 192.4
[M]+ 400.11525 200.3
[M]- 400.11635 200.4
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