CID 386890

Nsc679748

Structural Information

Molecular Formula
C24H18O4
SMILES
CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C
InChI
InChI=1S/C24H18O4/c1-11-5-7-15-17(9-11)23(27)21(25)13(3)19(15)20-14(4)22(26)24(28)18-10-12(2)6-8-16(18)20/h5-10H,1-4H3
InChIKey
INZJEVFGUQNHRA-UHFFFAOYSA-N
Compound name
4-(2,6-dimethyl-3,4-dioxonaphthalen-1-yl)-3,7-dimethylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12778 185.1
[M+Na]+ 393.10972 197.3
[M-H]- 369.11322 195.0
[M+NH4]+ 388.15432 200.3
[M+K]+ 409.08366 191.4
[M+H-H2O]+ 353.11776 176.4
[M+HCOO]- 415.11870 203.5
[M+CH3COO]- 429.13435 226.1
[M+Na-2H]- 391.09517 185.2
[M]+ 370.11995 188.8
[M]- 370.12105 188.8
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.