CID 188341

Trapezifolixanthone

Structural Information

Molecular Formula
C23H22O5
SMILES
CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=CC=C4O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C23H22O5/c1-12(2)8-9-15-20-14(10-11-23(3,4)28-20)19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(15)17/h5-8,10-11,24,26H,9H2,1-4H3
InChIKey
YWHROXVOOAEFOY-UHFFFAOYSA-N
Compound name
5,10-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

378.14673 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 190.4
[M+Na]+ 401.13595 202.0
[M-H]- 377.13945 196.7
[M+NH4]+ 396.18055 204.2
[M+K]+ 417.10989 198.9
[M+H-H2O]+ 361.14399 182.3
[M+HCOO]- 423.14493 204.2
[M+CH3COO]- 437.16058 201.2
[M+Na-2H]- 399.12140 195.7
[M]+ 378.14618 197.0
[M]- 378.14728 197.0
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