CID 14191183

Yucalexin b7

Structural Information

Molecular Formula
C20H28O2
SMILES
CC1(CC(=O)CC2(C1CCC34C2CC(=O)C(C3)(C=C4)C)C)C
InChI
InChI=1S/C20H28O2/c1-17(2)10-13(21)11-19(4)14(17)5-6-20-8-7-18(3,12-20)16(22)9-15(19)20/h7-8,14-15H,5-6,9-12H2,1-4H3
InChIKey
RZYJVISOEJBOKP-UHFFFAOYSA-N
Compound name
5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.20892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 171.5
[M+Na]+ 323.19814 179.7
[M-H]- 299.20164 176.0
[M+NH4]+ 318.24274 199.5
[M+K]+ 339.17208 173.9
[M+H-H2O]+ 283.20618 165.2
[M+HCOO]- 345.20712 182.6
[M+CH3COO]- 359.22277 182.1
[M+Na-2H]- 321.18359 175.0
[M]+ 300.20837 168.3
[M]- 300.20947 168.3
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

No patent data available for this compound.