CID 129905772

Vismiaquinone d

Structural Information

Molecular Formula
C22H20O5
SMILES
CC1=CC(=C2C(=C1C)C(=O)C3=CC(=C4C=CC(OC4=C3C2=O)(C)C)OC)O
InChI
InChI=1S/C22H20O5/c1-10-8-14(23)18-16(11(10)2)19(24)13-9-15(26-5)12-6-7-22(3,4)27-21(12)17(13)20(18)25/h6-9,23H,1-5H3
InChIKey
ZBVZVGSNQJPIBQ-UHFFFAOYSA-N
Compound name
11-hydroxy-5-methoxy-2,2,8,9-tetramethylnaphtho[3,2-h]chromene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 183.7
[M+Na]+ 387.12029 195.9
[M-H]- 363.12379 190.6
[M+NH4]+ 382.16489 200.4
[M+K]+ 403.09423 192.6
[M+H-H2O]+ 347.12833 175.9
[M+HCOO]- 409.12927 198.3
[M+CH3COO]- 423.14492 222.0
[M+Na-2H]- 385.10574 187.7
[M]+ 364.13052 189.8
[M]- 364.13162 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.