CID 14614291

2178-51-0

Structural Information

Molecular Formula
C24H32O2
SMILES
CC(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)C)C(C)C)C=C(C1=O)C(C)C
InChI
InChI=1S/C24H32O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16H,1-8H3
InChIKey
ARMCFFIHDTWHHK-UHFFFAOYSA-N
Compound name
4-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

352.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24751 183.4
[M+Na]+ 375.22945 189.1
[M-H]- 351.23295 189.9
[M+NH4]+ 370.27405 197.2
[M+K]+ 391.20339 185.2
[M+H-H2O]+ 335.23749 176.6
[M+HCOO]- 397.23843 198.6
[M+CH3COO]- 411.25408 224.4
[M+Na-2H]- 373.21490 176.0
[M]+ 352.23968 184.0
[M]- 352.24078 184.0
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

patents stripe