CID 442586

Dasytrichone

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=C(C2=C(C(C1=O)(C)C)OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-9,20H,1-3H3
InChIKey
VOEVEGYLKQKGLZ-UHFFFAOYSA-N
Compound name
5-hydroxy-6,8,8-trimethyl-2-phenylchromene-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

296.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 164.7
[M+Na]+ 319.09408 176.5
[M-H]- 295.09758 173.3
[M+NH4]+ 314.13868 181.9
[M+K]+ 335.06802 173.3
[M+H-H2O]+ 279.10212 157.6
[M+HCOO]- 341.10306 184.7
[M+CH3COO]- 355.11871 203.4
[M+Na-2H]- 317.07953 170.2
[M]+ 296.10431 168.5
[M]- 296.10541 168.5
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