CID 388566

Nsc683577

Structural Information

Molecular Formula
C22H26O4
SMILES
CC(C)(C)CC1=CC(=O)C(=CC1=O)C2=CC(=O)C(=CC2=O)CC(C)(C)C
InChI
InChI=1S/C22H26O4/c1-21(2,3)11-13-7-19(25)15(9-17(13)23)16-10-18(24)14(8-20(16)26)12-22(4,5)6/h7-10H,11-12H2,1-6H3
InChIKey
BANAWDIBEFWTAN-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1831 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 180.7
[M+Na]+ 377.17232 189.1
[M-H]- 353.17582 188.0
[M+NH4]+ 372.21692 194.7
[M+K]+ 393.14626 185.5
[M+H-H2O]+ 337.18036 174.4
[M+HCOO]- 399.18130 198.0
[M+CH3COO]- 413.19695 218.6
[M+Na-2H]- 375.15777 181.3
[M]+ 354.18255 184.2
[M]- 354.18365 184.2
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.