CID 46174641

Utreloxastat

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCC1=C(C(=O)C(=C(C1=O)C)C)C
InChI
InChI=1S/C18H28O2/c1-5-6-7-8-9-10-11-12-16-15(4)17(19)13(2)14(3)18(16)20/h5-12H2,1-4H3
InChIKey
IJWAQTHZBDBIID-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-nonylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

276.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.216196 166.3
[M+Na]+ 299.198138 174.1
[M-H]- 275.201644 169.9
[M+NH4]+ 294.242743 183.8
[M+K]+ 315.172078 170.3
[M+H-H2O]+ 259.206180 160.3
[M+HCOO]- 321.207121 187.3
[M+CH3COO]- 335.222771 207.1
[M+Na-2H]- 297.183586 165.6
[M]+ 276.20837142 171.6
[M]- 276.20946858 171.6
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