CID 84200

2,5-cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis[2,6-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C30H40O2
SMILES
CC(C)(C)C1=CC(=C=C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C30H40O2/c1-27(2,3)21-15-19(16-22(25(21)31)28(4,5)6)13-14-20-17-23(29(7,8)9)26(32)24(18-20)30(10,11)12/h15-18H,1-12H3
InChIKey
XBVQJPOFNBYXMM-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.30283 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.31011 201.2
[M+Na]+ 455.29205 207.9
[M-H]- 431.29555 207.9
[M+NH4]+ 450.33665 212.8
[M+K]+ 471.26599 202.3
[M+H-H2O]+ 415.30009 195.7
[M+HCOO]- 477.30103 212.6
[M+CH3COO]- 491.31668 234.8
[M+Na-2H]- 453.27750 200.9
[M]+ 432.30228 202.7
[M]- 432.30338 202.7
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.