CID 117575

Tetrabutylanthraquinone

Structural Information

Molecular Formula
C30H40O2
SMILES
CCCCC1=C2C(=C(C=C1)CCCC)C(=O)C3=C(C=CC(=C3C2=O)CCCC)CCCC
InChI
InChI=1S/C30H40O2/c1-5-9-13-21-17-18-22(14-10-6-2)26-25(21)29(31)27-23(15-11-7-3)19-20-24(16-12-8-4)28(27)30(26)32/h17-20H,5-16H2,1-4H3
InChIKey
NYGLLWHUAMCPND-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrabutylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

432.30283 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.31011 214.1
[M+Na]+ 455.29205 220.5
[M-H]- 431.29555 218.0
[M+NH4]+ 450.33665 226.9
[M+K]+ 471.26599 212.7
[M+H-H2O]+ 415.30009 204.9
[M+HCOO]- 477.30103 229.8
[M+CH3COO]- 491.31668 240.2
[M+Na-2H]- 453.27750 211.1
[M]+ 432.30228 221.0
[M]- 432.30338 221.0
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

patents stripe