CID 389885

Salvilenone

Structural Information

Molecular Formula
C20H20O2
SMILES
CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C
InChI
InChI=1S/C20H20O2/c1-10(2)15-18(21)13-7-6-11(3)12-8-9-14-17(16(12)13)19(15)22-20(14,4)5/h6-10H,1-5H3
InChIKey
WDBJFWOOWQREKA-UHFFFAOYSA-N
Compound name
5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4,6,8(15),10-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

292.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15361 169.1
[M+Na]+ 315.13555 179.9
[M-H]- 291.13905 175.6
[M+NH4]+ 310.18015 191.7
[M+K]+ 331.10949 176.0
[M+H-H2O]+ 275.14359 163.2
[M+HCOO]- 337.14453 185.6
[M+CH3COO]- 351.16018 181.9
[M+Na-2H]- 313.12100 172.9
[M]+ 292.14578 175.2
[M]- 292.14688 175.2
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