CID 109077

61377-20-6

Structural Information

Molecular Formula
C32H40O4
SMILES
CC(C)(C)C1=CC(=C2C(=O)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C32H40O4/c1-29(2,3)19-13-17(14-20(25(19)33)30(4,5)6)23-27(35)24(28(23)36)18-15-21(31(7,8)9)26(34)22(16-18)32(10,11)12/h13-16H,1-12H3
InChIKey
DZHJOQXOHKJGJB-UHFFFAOYSA-N
Compound name
2,4-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclobutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.29266 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.29994 225.1
[M+Na]+ 511.28188 232.9
[M+NH4]+ 506.32648 224.6
[M+K]+ 527.25582 229.6
[M-H]- 487.28538 223.9
[M+Na-2H]- 509.26733 226.2
[M]+ 488.29211 225.0
[M]- 488.29321 225.0
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.