CID 5316097

Corylin

Structural Information

Molecular Formula
C20H16O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C
InChI
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
InChIKey
PWAACAMQKVIVPZ-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

244
Patents

320.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.6
[M+Na]+ 343.09408 184.8
[M-H]- 319.09758 183.2
[M+NH4]+ 338.13868 188.9
[M+K]+ 359.06802 182.2
[M+H-H2O]+ 303.10212 164.9
[M+HCOO]- 365.10306 191.3
[M+CH3COO]- 379.11871 186.0
[M+Na-2H]- 341.07953 181.7
[M]+ 320.10431 177.4
[M]- 320.10541 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