CID 458172

2-methyl-3-(2,4,6-trimethylphenyl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C20H18O2
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C(=O)C3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C20H18O2/c1-11-9-12(2)17(13(3)10-11)18-14(4)19(21)15-7-5-6-8-16(15)20(18)22/h5-10H,1-4H3
InChIKey
RWPDPKVCAQIDNT-UHFFFAOYSA-N
Compound name
2-methyl-3-(2,4,6-trimethylphenyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13068 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 165.7
[M+Na]+ 313.11990 177.0
[M-H]- 289.12340 174.6
[M+NH4]+ 308.16450 183.5
[M+K]+ 329.09384 171.6
[M+H-H2O]+ 273.12794 158.3
[M+HCOO]- 335.12888 187.1
[M+CH3COO]- 349.14453 208.9
[M+Na-2H]- 311.10535 167.9
[M]+ 290.13013 168.4
[M]- 290.13123 168.4
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.