CID 5317648

Schembl571457

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(C=C(C=C4)O)OC3)C
InChI
InChI=1S/C20H18O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3
InChIKey
KKLOCFOZPFGVBB-UHFFFAOYSA-N
Compound name
6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

1145
Patents

322.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 175.4
[M+Na]+ 345.10972 184.9
[M-H]- 321.11322 183.3
[M+NH4]+ 340.15432 189.9
[M+K]+ 361.08366 182.2
[M+H-H2O]+ 305.11776 167.1
[M+HCOO]- 367.11870 190.0
[M+CH3COO]- 381.13435 186.6
[M+Na-2H]- 343.09517 182.3
[M]+ 322.11995 176.9
[M]- 322.12105 176.9
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