CID 191694

Cudranone

Structural Information

Molecular Formula
C19H20O5
SMILES
CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C(C=C2O)OC)O)C
InChI
InChI=1S/C19H20O5/c1-11(2)7-8-13-14(5-4-6-15(13)20)19(23)18-16(21)9-12(24-3)10-17(18)22/h4-7,9-10,20-22H,8H2,1-3H3
InChIKey
PPLJPJXZLUVDGT-UHFFFAOYSA-N
Compound name
(2,6-dihydroxy-4-methoxyphenyl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

328.13107 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.7
[M+Na]+ 351.12029 182.9
[M-H]- 327.12379 179.0
[M+NH4]+ 346.16489 188.0
[M+K]+ 367.09423 178.7
[M+H-H2O]+ 311.12833 168.6
[M+HCOO]- 373.12927 193.1
[M+CH3COO]- 387.14492 205.9
[M+Na-2H]- 349.10574 173.9
[M]+ 328.13052 177.4
[M]- 328.13162 177.4
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.