CID 458176

2-hydroxy-3-mesityl-1,4-napthoquinone

Structural Information

Molecular Formula
C19H16O3
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C(=O)C2=O)O)C
InChI
InChI=1S/C19H16O3/c1-10-8-11(2)15(12(3)9-10)16-17(20)13-6-4-5-7-14(13)18(21)19(16)22/h4-9,20H,1-3H3
InChIKey
GZXACIUTVSSIHJ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2,4,6-trimethylphenyl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 165.3
[M+Na]+ 315.09917 176.4
[M-H]- 291.10267 173.0
[M+NH4]+ 310.14377 182.1
[M+K]+ 331.07311 171.1
[M+H-H2O]+ 275.10721 158.1
[M+HCOO]- 337.10815 185.6
[M+CH3COO]- 351.12380 205.7
[M+Na-2H]- 313.08462 167.6
[M]+ 292.10940 167.3
[M]- 292.11050 167.3
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.