CID 15690588

Clusiaphenone a

Structural Information

Molecular Formula
C23H22O4
SMILES
CC1(C=CC2=C(C(=C3C(=C2O1)C=CC(O3)(C)C)C(=O)C4=CC=CC=C4)O)C
InChI
InChI=1S/C23H22O4/c1-22(2)12-10-15-19(25)17(18(24)14-8-6-5-7-9-14)21-16(20(15)26-22)11-13-23(3,4)27-21/h5-13,25H,1-4H3
InChIKey
PLDOASCNEBDSKY-UHFFFAOYSA-N
Compound name
(5-hydroxy-2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

362.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 186.8
[M+Na]+ 385.14102 196.4
[M-H]- 361.14452 195.9
[M+NH4]+ 380.18562 202.2
[M+K]+ 401.11496 194.3
[M+H-H2O]+ 345.14906 178.0
[M+HCOO]- 407.15000 201.0
[M+CH3COO]- 421.16565 197.7
[M+Na-2H]- 383.12647 192.5
[M]+ 362.15125 190.1
[M]- 362.15235 190.1
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