CID 25202917

Hydratedusnate

Structural Information

Molecular Formula
C18H18O8
SMILES
CC1=C(C(=C(C(=C1O)C2(C(=O)C=C(C(=C2O)C(=O)C)O)C)O)C(=O)C)O
InChI
InChI=1S/C18H18O8/c1-6-14(23)12(8(3)20)16(25)13(15(6)24)18(4)10(22)5-9(21)11(7(2)19)17(18)26/h5,21,23-26H,1-4H3
InChIKey
VYABHMTZLSOQPG-UHFFFAOYSA-N
Compound name
4-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

362.10016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.107436 175.1
[M+Na]+ 385.089378 184.6
[M-H]- 361.092884 177.1
[M+NH4]+ 380.133983 187.1
[M+K]+ 401.063318 182.3
[M+H-H2O]+ 345.097420 170.3
[M+HCOO]- 407.098361 188.8
[M+CH3COO]- 421.114011 212.0
[M+Na-2H]- 383.074826 171.8
[M]+ 362.09961142 177.5
[M]- 362.10070858 177.5
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.