CID 42607649

Glyinflanin d

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)CC(=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C
InChI
InChI=1S/C25H24O5/c1-24(2)9-7-16-11-15(5-6-22(16)29-24)19(26)13-20(27)18-12-17-8-10-25(3,4)30-23(17)14-21(18)28/h5-12,14,28H,13H2,1-4H3
InChIKey
PHVKLPYOWVVQIN-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylchromen-6-yl)-3-(7-hydroxy-2,2-dimethylchromen-6-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

404.16238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 197.4
[M+Na]+ 427.15160 205.7
[M-H]- 403.15510 205.9
[M+NH4]+ 422.19620 210.6
[M+K]+ 443.12554 204.1
[M+H-H2O]+ 387.15964 188.4
[M+HCOO]- 449.16058 210.0
[M+CH3COO]- 463.17623 225.3
[M+Na-2H]- 425.13705 201.1
[M]+ 404.16183 201.4
[M]- 404.16293 201.4
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