CID 96613

4359-97-1

Structural Information

Molecular Formula
C29H42O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C29H42O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h13-17,30H,1-12H3
InChIKey
HRLDHROCDBYHAU-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

735
Patents

422.31848 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.32576 202.3
[M+Na]+ 445.30770 208.8
[M-H]- 421.31120 208.0
[M+NH4]+ 440.35230 213.7
[M+K]+ 461.28164 204.3
[M+H-H2O]+ 405.31574 196.6
[M+HCOO]- 467.31668 213.2
[M+CH3COO]- 481.33233 233.0
[M+Na-2H]- 443.29315 202.5
[M]+ 422.31793 205.1
[M]- 422.31903 205.1
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.