CID 323275

Carnosol o-quinone

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C
InChI
InChI=1S/C20H24O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14H,5-7,9H2,1-4H3
InChIKey
MWAYCDXOVYWQPR-UHFFFAOYSA-N
Compound name
11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),5-diene-3,4,15-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 172.4
[M+Na]+ 351.15667 178.0
[M-H]- 327.16017 174.6
[M+NH4]+ 346.20127 193.7
[M+K]+ 367.13061 175.5
[M+H-H2O]+ 311.16471 164.3
[M+HCOO]- 373.16565 177.7
[M+CH3COO]- 387.18130 181.5
[M+Na-2H]- 349.14212 177.9
[M]+ 328.16690 174.1
[M]- 328.16800 174.1
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.