CID 461867

Nsc660820

Structural Information

Molecular Formula
C20H24O2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]4(C3C(=C2)OC4=O)C)C
InChI
InChI=1S/C20H24O2/c1-12(2)13-6-7-15-14(10-13)11-16-17-19(15,3)8-5-9-20(17,4)18(21)22-16/h6-7,10-12,17H,5,8-9H2,1-4H3/t17?,19-,20-/m1/s1
InChIKey
XZQMGTSVFBJVSX-IPNZSQQUSA-N
Compound name
(1S,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,8-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.17764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 170.6
[M+Na]+ 319.16686 178.9
[M-H]- 295.17036 176.4
[M+NH4]+ 314.21146 193.9
[M+K]+ 335.14080 174.9
[M+H-H2O]+ 279.17490 164.2
[M+HCOO]- 341.17584 184.1
[M+CH3COO]- 355.19149 182.0
[M+Na-2H]- 317.15231 174.2
[M]+ 296.17709 171.4
[M]- 296.17819 171.4
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.