CID 15233561

Glyinflanin g

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)O)C
InChI
InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+
InChIKey
JIQHAMDPLDKKBS-FNORWQNLSA-N
Compound name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

404.16238 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 198.2
[M+Na]+ 427.15160 207.5
[M-H]- 403.15510 205.9
[M+NH4]+ 422.19620 211.3
[M+K]+ 443.12554 204.6
[M+H-H2O]+ 387.15964 189.6
[M+HCOO]- 449.16058 210.4
[M+CH3COO]- 463.17623 207.8
[M+Na-2H]- 425.13705 202.1
[M]+ 404.16183 201.6
[M]- 404.16293 201.6
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