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]+ 363.10744 175.1
[M+Na]+ 385.08938 184.6
[M-H]- 361.09288 177.1
[M+NH4]+ 380.13398 187.1
[M+K]+ 401.06332 182.3
[M+H-H2O]+ 345.09742 170.3
[M+HCOO]- 407.09836 188.8
[M+CH3COO]- 421.11401 212.0
[M+Na-2H]- 383.07483 171.8
[M]+ 362.09961 177.5
[M]- 362.10071 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.