CID 13940732

Lmpk12140208

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=CC=C4)O)C
InChI
InChI=1S/C20H18O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-9,11,16,22H,10H2,1-2H3
InChIKey
VYVZELWVPQMZDE-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

322.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.6
[M+Na]+ 345.10972 183.8
[M-H]- 321.11322 183.4
[M+NH4]+ 340.15432 189.6
[M+K]+ 361.08366 181.4
[M+H-H2O]+ 305.11776 166.1
[M+HCOO]- 367.11870 189.4
[M+CH3COO]- 381.13435 186.0
[M+Na-2H]- 343.09517 180.9
[M]+ 322.11995 175.6
[M]- 322.12105 175.6
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