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

6
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

literature stripe

Patent stripe

patents stripe