CID 113110

63165-94-6

Structural Information

Molecular Formula
C40H44O4
SMILES
CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C(=O)C5=CC=CC=C5C4=O)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C40H44O4/c1-37(2,3)25-17-21(18-26(35(25)43)38(4,5)6)29-30(31(29)32-33(41)23-15-13-14-16-24(23)34(32)42)22-19-27(39(7,8)9)36(44)28(20-22)40(10,11)12/h13-20H,1-12H3
InChIKey
ZTSYKAABROVZNW-UHFFFAOYSA-N
Compound name
2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.324 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.33128 243.8
[M+Na]+ 611.31322 256.9
[M+NH4]+ 606.35782 248.5
[M+K]+ 627.28716 253.5
[M-H]- 587.31672 254.3
[M+Na-2H]- 609.29867 249.5
[M]+ 588.32345 250.1
[M]- 588.32455 250.1
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.