CID 3003351

Hexamethyl(oxo)[?]dione

Structural Information

Molecular Formula
C22H28O4Se
SMILES
CC1(C2CCC1(C(=O)C3=C2OC4=C([Se]3=O)C(=O)C5(CCC4C5(C)C)C)C)C
InChI
InChI=1S/C22H28O4Se/c1-19(2)11-7-9-21(19,5)17(23)15-13(11)26-14-12-8-10-22(6,20(12,3)4)18(24)16(14)27(15)25/h11-12H,7-10H2,1-6H3
InChIKey
BGSLLTQVFBYVFP-UHFFFAOYSA-N
Compound name
8,14,17,17,18,18-hexamethyl-11-oxo-3-oxa-11lambda4-selenapentacyclo[12.2.1.15,8.02,12.04,10]octadeca-2(12),4(10)-diene-9,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.11526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12254 191.5
[M+Na]+ 459.10448 202.9
[M-H]- 435.10798 195.8
[M+NH4]+ 454.14908 218.9
[M+K]+ 475.07842 196.4
[M+H-H2O]+ 419.11252 186.5
[M+HCOO]- 481.11346 199.6
[M+CH3COO]- 495.12911 201.8
[M+Na-2H]- 457.08993 193.2
[M]+ 436.11471 194.9
[M]- 436.11581 194.9
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.